Publications HAL

2024

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titre
Correlated IR-SEM-TEM studies of three different grains from Ryugu: From the initial material to post-accretional processes
auteur
Alice Aléon-Toppani, Rosario Brunetto, Zélia Dionnet, Stefano Rubino, Donia Baklouti, François Brisset, Maxime Vallet, Eva Héripré, Tomoki Nakamura, Cateline Lantz, Zahia Djouadi, Ferenc Borondics, Christophe Sandt, David Troadec, Obadias Mivumbi, Megumi Matsumoto, Kana Amano, Tomoyo Morita, Hisayoshi Yurimoto, Takaaki Noguchi, Ryuji Okazaki, Hikaru Yabuta, Hiroshi Naraoka, Kanako Sakamoto, Shogo Tachibana, Toru Yada, Masahiro Nishimura, Aiko Nakato, Akiko Miyazaki, Kasumi Yogata, Masanao Abe, Tatsuaki Okada, Tomohira Usui, Makoto Yoshikawa, Takanao Saiki, Satoshi Tanaka, Fuyuto Terui, Satoru Nakazawa, Sei-Ichiro Watanabe, Yuichi Tsuda
article
Geochimica et Cosmochimica Acta, 2024, 371, pp.1-30. ⟨10.1016/j.gca.2024.02.006⟩
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In order to better constrain the alteration history of the Ryugu parent body, we performed a multi-a .....
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https://hal.science/hal-04506590/file/1-s2.0-S0016703724000772-main.pdf BibTex
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N -representable one-electron reduced density matrix reconstruction with frozen core electrons
auteur
Sizhuo Yu, Jean-Michel Gillet
article
Acta Crystallographica Section A : Foundations and Advances [2014-..], 2024, 80 (3), ⟨10.1107/S2053273324001645⟩
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Recent advances in quantum crystallography have shown that, beyond conventional charge density refin .....
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Influence of arylalkyl amines on the formation of hybrid CsPbBr 3 nanocrystals via a modified LARP method
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Ernest Ruby, Hugo Levy-Falk, Gaëlle Trippé-Allard, Frédéric Fossard, Maxime Vallet, Nicolas Guiblin, Jean-Sébastien Lauret, Emmanuelle Deleporte, Cédric Mayer
article
Nanoscale Advances, 2024, ⟨10.1039/D3NA01105D⟩
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Perovskite nanocrystals have attracted much attention in the last ten years, in this full paper we d .....
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Obtaining two polymorphic forms of paracetamol within the phase diagram with PEG 1500
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Maïlys Rassat, Ingrid Ouandji, Nicolas Guiblin, Philippe Espeau
article
European Journal of Pharmaceutics and Biopharmaceutics, 2024, 195, pp.114173. ⟨10.1016/j.ejpb.2023.114173⟩
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Studies of the interactions between paracetamol, chosen as model active ingredient, and PEG 1500, a .....
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ArUco‐based stylus reliability for reproductible 3D digitalisation of shoulder cartilage contours
auteur
Florent Moissenet, Christian Elmo Kulanesan, Kevin Co, Pablo Rodriguez, Pierre Vacher, Jean‐yves Beaulieu, Nicolas Holzer
article
Journal of Anatomy, 2024, ⟨10.1111/joa.13987⟩
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Abstract Imaging techniques in anatomy have developed rapidly over the last decades through the emer .....
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Experimental study and modeling of extreme ultraviolet 4000 lines/mm diffraction gratings coated with periodic and aperiodic Al/Mo/SiC multilayers
auteur
Amr Hisham K. Mahmoud, Sébastien de Rossi, Evgueni Meltchakov, Blandine Capitanio, Muriel Thomasset, Maxime Vallet, Franck Delmotte
article
Applied optics, 2024, 63 (1), pp.30. ⟨10.1364/AO.505546⟩
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https://hal-iogs.archives-ouvertes.fr/hal-04355822/file/Mahmoud_applied_optics_2023_vol63_p30.pdf BibTex

2023

Article dans une revue

titre
Correlation of strontium anharmonicity with charge-lattice dynamics of the apical oxygens and their coupling to cuprate superconductivity
auteur
Steven Conradson, Victor Velasco, Marcello Barbosa Silva Neto, Changqing Jin, Wenmin Li, Li-Peng Cao, Andrea Gauzzi, Maarit Karppinen, Andrea Perali, Sandro Wimberger, Alan Bishop, Gianguido Baldinozzi, Matthew Latimer, Edmondo Gilioli
article
Superconductor Science and Technology, In press, ⟨10.1088/1361-6668/ad1761⟩
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Abstract By means of Cu K edge X-ray absorption spectra of overdoped superconducting YSr 2 Cu 2.75 M .....
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https://arxiv.org/pdf/2109.14092 BibTex
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Stability of ion-beam-induced bixbyite phase in δ-Sc4Hf3O12 under heat treatments and electron beam irradiations
auteur
Manasari Iwasaki, Maulik Patel, Gianguido Baldinozzi, Kurt E. Sickafus, Manabu Ishimaru
article
Journal of the European Ceramic Society, 2023, ⟨10.1016/j.jeurceramsoc.2023.12.063⟩
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Oxygen-deficient compounds A4B3O12 have a δ-type structure with a regular long-range arrangement of .....
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https://hal.science/hal-04353142/file/2023%20Ishimaru%20JECESOC.pdf BibTex
titre
Thermodynamics of oiling-out in antisolvent crystallization. I. Extrapolation of ternary phase diagram from solubility to instability
auteur
Zhengyu Zhang, Ran Bi, Jean-Frédéric Audibert, Weixi Wang, Soo Young Park, Anne Spasojevic - de Biré, Robert Bernard Pansu
article
Crystal Growth & Design, 2023, 24 (1), pp.224-237. ⟨10.1021/acs.cgd.3c00916⟩
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The competition between crystallization and oiling-out is a major concern in the process design of a .....
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https://centralesupelec.hal.science/hal-04373603/file/A%20Spasojevic%20Thermodynamics%20of%20oiling-out%20in%20antisolvent%20crystallization.pdf BibTex
titre
Photoluminescence and structural phase transition relationship in Er-doped BaTiO 3 model ferroelectric system
auteur
Jingye Zou, Shenglan Hao, Pascale Gemeiner, Nicolas Guiblin, Omar Ibder, Brahim Dkhil, Charles Paillard
article
Journal of Materials Chemistry C, 2023, 12 (2), pp.600-606. ⟨10.1039/d3tc02991c⟩
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When embedded within a ferroelectric host matrix, rare-earth ions and their photoluminescence (PL) p .....
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The way to elastic ferroelectrics
auteur
Ben-Lin Hu, Brahim Dkhil, Run-Wei Li
article
Science Bulletin, 2023, 68 (22), pp.2691-2694. ⟨10.1016/j.scib.2023.10.010⟩
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Temporal and spatial tracking of ultrafast light-induced strain and polarization modulation in a ferroelectric thin film
auteur
Ruizhe Gu, Vincent Juvé, Claire Laulhé, Houssny Bouyanfif, Gwenaëlle Vaudel, Aurélie Poirier, Brahim Dkhil, Philippe Hollander, Charles Paillard, Mads Weber, Daniel Sando, Stéphane Fusil, Vincent Garcia, Pascal Ruello
article
Science Advances , 2023, 9 (46), ⟨10.1126/sciadv.adi1160⟩
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Ultrashort light pulses induce rapid deformations of crystalline lattices. In ferroelectrics, lattic .....
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Dislocations and a domains coupling in PbTiO3 thin films
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Long Cheng, Heng Zhang, Ran Xu, Kevin Co, Nicolas Guiblin, Mojca Otoničar, Charles Paillard, Yujia Wang, Brahim Dkhil
article
Applied Physics Letters, 2023, 123 (20), ⟨10.1063/5.0173901⟩
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The interaction of domain structure and defects in ferroelectric thin films has been studied for dec .....
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https://centralesupelec.hal.science/hal-04291033/file/L%20Cheng%20Dislocations%20and%20a%20domains%20coupling%20in%20PbTiO3%20thin%20films.pdf BibTex
titre
High Isolation, Double-Clamped, Magnetoelectric Microelectromechanical Resonator Magnetometer
auteur
Thomas Mion, Michael D’agati, Sydney Sofronici, Konrad Bussmann, Margo Staruch, Jason Kost, Kevin Co, Roy Olsson, Peter Finkel
article
Sensors, 2023, 23 (20), pp.8626. ⟨10.3390/s23208626⟩
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Magnetoelectric (ME)-based magnetometers have garnered much attention as they boast ultra-low-power .....
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A simple access to hexahydropyrimidine from 1,3-diamine: synthesis and solid-state characterization
auteur
Abdelkhalek Zerrouki, Béatrice Nicolaï, Mustapha Taleb, François-Xavier Legrand, Nicolas Guiblin, Zahra Bahari, Sghir El Kadiri
article
Structural Chemistry, 2023, ⟨10.1007/s11224-023-02234-9⟩
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1,3-bis((1H-1,2,4-triazol-1-yl)methyl)hexahydropyrimidine was readily prepared by cyclocondensation .....
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Skyrmion lattice annihilation by point defects in the multiferroic Cu 2 OSeO 3
auteur
Houssam Sabri, Igor Kornev
article
Physical Review B, 2023, 108 (14), pp.L140401. ⟨10.1103/PhysRevB.108.L140401⟩
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First-principles-based effective Hamiltonian simulations are used to reveal the hidden connection be .....
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3D Real-Time Two-Photon Microscopy Device for Single-Particle Holographic Tracking (3D-Red Shot)
auteur
Florian Semmer, Marie-Charlotte Emperauger, Colin Lopez, Christine Bogicevic, François Treussart, Karen Perronet, François Marquier
article
ACS photonics, 2023, 10 (9), pp.3426-3434. ⟨10.1021/acsphotonics.3c00949⟩
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https://arxiv.org/pdf/2211.04114 BibTex
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A simple and efficient process for the synthesis of 2D carbon nitrides and related materials
auteur
Cora Moreira da Silva, Maxime Vallet, Clément Semion, Thomas Blin, Romuald Saint-Martin, Jocelyne Leroy, Diana Dragoe, François Brisset, Cynthia Gillet, Régis Guillot,, Vincent Huc
article
Scientific Reports, 2023, 13 (1), pp.15423. ⟨10.1038/s41598-023-39899-5⟩
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Abstract We describe here a new process for the synthesis of very high quality 2D Covalent Organic F .....
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https://centralesupelec.hal.science/hal-04230852/file/M%20Vallet%20A%20simple%20and%20efficient%20process%20for%20the%20synthesis%20of%202D%20carbon%20nitrides%20and%20related%20materials.pdf BibTex
titre
Strains in Fe/Cr/Fe trilayers and (Fe/Cr)5/Fe multilayers epitaxied on MgO and MgO/SrTiO3
auteur
G. Magnifouet, M. Vallet, E. Meslin, M. Walls, C. Bouillet, J. Arabski, V. Pierron-Bohnes
article
Thin Solid Films, 2023, 780, pp.139949. ⟨10.1016/j.tsf.2023.139949⟩
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Fe/Cr/Fe trilayers and multilayers are prepared as model systems designed to furnish simple data com .....
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https://centralesupelec.hal.science/hal-04158846/file/TSF-D-22-01163_preprint.pdf BibTex
titre
Engineering the electro-optic effect in HfO2 and ZrO2 through strain and polarization control
auteur
Francesco Delodovici, Cassidy Atkinson, Ran Xu, Pierre-Eymeric Janolin, S Pamir Alpay, Charles Paillard
article
Journal of Applied Physics, 2023, 134, ⟨10.1063/5.0158909⟩
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The ability to control the optical properties of a material with an electric field has led to optica .....
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https://centralesupelec.hal.science/hal-04198450/file/C%20Paillard%20-%20Engineering%20the%20electro-optic%20effect%20in%20HfO2%20and%20ZrO2%20through%20strain%20and%20polarization%20control.pdf BibTex
titre
Real-space Observation of Polar Nanoregions in a Relaxor Ferroelectric
auteur
Hiroshi Nakajima, Satoshi Hiroi, Hirofumi Tsukasaki, Charlotte Cochard, P.-E. Janolin, Shigeo Mori
article
Microscopy and Microanalysis, 2023, 29 (Supplement_1), pp.1682-1683. ⟨10.1093/micmic/ozad067.865⟩
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Optical and dielectric properties of ultra-fine Mn doped BiFeO3 nanoparticles
auteur
Wael Ben Taazayet, Ikbel Mallek Zouari, Brahim Dkhil, Najeh Thabet Mliki, Brahim Dkhil
article
Inorganic Chemistry Communications, 2023, 154, pp.110951. ⟨10.1016/j.inoche.2023.110951⟩
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Grain size and piezoelectric effect on magnetoelectric coupling in BFO/PZT perovskite-perovskite composites
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Minghai Yao, Arij Marzouki, Shenglan Hao, Samir Salmanov, Mojca Otonicar, Vincent Loyau, Brahim Dkhil
article
Journal of Alloys and Compounds, 2023, 948, pp.169731. ⟨10.1016/j.jallcom.2023.169731⟩
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Magnetoelectric multiferroics are provoking much research activity for their potential applications .....
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Multiscale Effects of Collagen Damage in Cortical Bone and Dentin
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Qian Wu, Shangaya Touraivane, Thomas Reiss, Maxime Vallet, Nicolas Roubier, Elsa Vennat, Claire Acevedo
article
JOM Journal of the Minerals, Metals and Materials Society, 2023, 75 (7), pp.2102-2113. ⟨10.1007/s11837-023-05852-0⟩
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The denaturation of collagen at the molecular level in bone and dentin can impact their structure an .....
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A Simple Modeling for Gas Release During Annealing of Irradiated Nuclear Fuel
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Jimmy Losfeld, Lionel Desgranges, Yves Pontillon, Gianguido Baldinozzi
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Transactions of the American Nuclear Society, 2023, 128 (1), pp.404-407
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We have developed a gas flow model in the spent nuclear fuel during the annealing. It postulates tha .....
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https://hal.science/hal-04459527/file/Losfeld_ANS_Transactions_55376.pdf BibTex
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Heterogeneity in tribologically transformed structure (TTS) of Ti–6Al–4V under fretting
auteur
Vivien Lefranc, Soha Baydoun, Camille Gandiolle, Eva Héripré, Maxime Vallet, Siegfried Fouvry, Véronique Aubin
article
Wear, 2023, 522, pp.204680. ⟨10.1016/j.wear.2023.204680⟩
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Fretting wear is a surface degradation process caused by oscillatory motion and contact slipping. Du .....
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https://hal.science/hal-04247700/file/manuscript%20preprint%20HAL.pdf BibTex
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Ultralow‐power in‐memory computing based on ferroelectric memcapacitor network
auteur
Bobo Tian, Zhuozhuang Xie, Luqiu Chen, Shenglan Hao, Yifei Liu, Guangdi Feng, Xuefeng Liu, Hongbo Liu, Jing Yang, Yuanyuan Zhang, Wei Bai, Tie Lin, Hong Shen, Xiangjian Meng, Ni Zhong, Hui Peng, Fangyu Yue, Xiaodong Tang, Jianlu Wang, Qiuxiang Zhu, Yachin Ivry, Brahim Dkhil, Junhao Chu, Chungang Duan
article
Exploration of Immunology, 2023, 3 (3), pp.20220126. ⟨10.1002/EXP.20220126⟩
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Analog storage through synaptic weights using conductance in resistive neuromorphic systems and devi .....
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BiFeO 3 Nanoparticles: The “Holy‐Grail” of Piezo‐Photocatalysts?
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Wafa Amdouni, Matthieu Fricaudet, Mojca Otoničar, Vincent Garcia, Stephane Fusil, Jens Kreisel, Hager Maghraoui-Meherzi, Brahim Dkhil
article
Advanced Materials, 2023, pp.2301841. ⟨10.1002/adma.202301841⟩
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Recently, piezoelectric-based catalysis has been demonstrated to be an efficient means and promising .....
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https://centralesupelec.hal.science/hal-04166824/file/Wafa%20Mathieu%20Brahim%20BiFeO3%20Nanoparticles%20The%20Holy-Grail%20of%20Piezo-Photocatalysts.pdf BibTex
titre
Atomic Level Decomposition Mechanism of Ti 2ALC into TiC x
auteur
Wenbo Yu, Maxime Vallet
article
Acta Materialia, 2023, 236, pp.4446128. ⟨10.1016/j.scriptamat.2023.115645⟩
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Ferroelectric materials for neuroinspired computing applications
auteur
Dong Wang, Shenglan Hao, Brahim Dkhil, Bobo Tian, Chungang Duan
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Fundamental Research and Development International, 2023, ⟨10.1016/j.fmre.2023.04.013⟩
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In recent years, the emergence of numerous applications of artificial intelligence (AI) has sparked .....
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Ferroelectricity of pristine Hf 0.5 Zr 0.5 O 2 films fabricated by atomic layer deposition
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Luqiu Chen, Xiaoxu Zhang, Guangdi Feng, Yifei Liu, Shenglan Hao, Qiuxiang Zhu, Xiaoyu Feng, Ke Qu, Zhenzhong Yang, Yuanshen Qi, Yachin Ivry, Brahim Dkhil, Bobo Tian, Junhao Chu, Chungang Duan
article
Chinese Physics B, 2023, ⟨10.1088/1674-1056/accff3⟩
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Abstract Hafnium-based ferroelectric films, remaining their ferroelectricity down to nanoscale thick .....
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Effect of an electric field on ferroelectric and piezoelectric properties of brownmillerite Ca 2 Al 2 O 5
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R. Arras, C. Paillard, L. Bellaiche
article
Physical Review B, 2023, 107 (14), pp.144107. ⟨10.1103/PhysRevB.107.144107⟩
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https://centralesupelec.hal.science/hal-04158759/file/C%20Paillard%20-%20Effect%20of%20an%20electric%20field%20on%20ferroelectric%20and%20piezoelectric%20properties%20of%20browmillerite%20Ca2AI2O5.pdf BibTex
titre
Great multiferroic properties in BiFeO 3 /BaTiO 3 system with composite-like structure
auteur
Minghai Yao, Long Cheng, Shenglan Hao, Samir Salmanov, Mojca Otonicar, Frédéric Mazaleyrat, Brahim Dkhil
article
Applied Physics Letters, 2023, 122 (15), pp.152904. ⟨10.1063/5.0139017⟩
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Multiferroic materials have attracted significant research attention due to their technological pote .....
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Pharmaceutical phase diagram: aspirin-caffeine-paracetamol
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Emma Dichi, Mehrez Sghaier, Nicolas Guiblin
article
Journal of Thermal Analysis and Calorimetry, 2023, 148 (13), pp.6107-6118. ⟨10.1007/s10973-023-12081-9⟩
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In recent years, eutectic mixtures have been the subject of numerous scientifc studies aimed at impr .....
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Large electrical strain in lead-free K0.5Na0.5NbO3-based ceramics by heterovalent doping
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Xiangjian Wang, Jun Wang, Wenping Geng, Guohua Dong, Brahim Dkhil, Xiaojie Lou
article
Journal of Materiomics, 2023, ⟨10.1016/j.jmat.2023.03.001⟩
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Heterovalent doped (K0.48-0.07xNa0.52-0.43xBi0.5x)(Nb0.95-0.95xSb0.05-0.05xZrx)O3 ceramics were fabr .....
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Photoinduced control of ferroelectricity in hybrid-improper ferroelectric superlattices
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Lingyuan Gao, Laurent Bellaiche, Charles Paillard
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Physical Review B, 2023, 107 (10), pp.104109. ⟨10.1103/PhysRevB.107.104109⟩
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We reveal a photo-induced control of ferroelectricity in hybrid-improper ferroelectric superlattices .....
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https://centralesupelec.hal.science/hal-04057967/file/C%20Paillard%20Photo-induced%20FE%20in%20HIF.pdf BibTex
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Designing polar textures with ultrafast neuromorphic features from atomistic simulations
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Sergey Prosandeev, Sergei Prokhorenko, Yousra Nahas, Yali Yang, Changsong Xu, Julie Grollier, Diyar Talbayev, Brahim Dkhil, L Bellaiche
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Neuromorphic Computing and Engineering, 2023, 3, ⟨10.1088/2634-4386/acbfd6⟩
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This review summarizes recent works, all using a specific atomistic approach, that predict and expla .....
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https://centralesupelec.hal.science/hal-04166930/file/B%20Dkhil%20Prosandeev_2023_Neuromorph._Comput._Eng._3_012002.pdf BibTex
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Relation between Twinning and Disorder in the γ Form of Pyrazinamide
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Kangli Li, Gabin Gbabode, Morgane Sanselme, Béatrice Nicolaï, Nicolas Guiblin, Ivo Rietveld
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Crystal Growth & Design, 2023, ⟨10.1021/acs.cgd.2c01419⟩
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THz pulse-induced second harmonic generation and Kerr effect in quantum paraelectric KTaO 3
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Xiaojiang Li, Peisong Peng, Grgory Geneste, Alireza Akbarzadeh, Sergey Prosandeev, L Bellaiche, Diyar Talbayev, Hichem Dammak
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Physical Review B, 2023, 107 (6), pp.064306. ⟨10.1103/PhysRevB.107.064306⟩
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We present a joint experimental and computational study of second harmonic generation and Kerr effec .....
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https://centralesupelec.hal.science/hal-04000306/file/H%20Dammak%20KTO_THz_pump_probe_BY13935_Hal.pdf BibTex
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Cooling efficiency and losses in electrocaloric materials
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N. Zeggai, B. Dkhil, M. Lobue, M. Almanza
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Applied Physics Letters, 2023, 122 (8), pp.081903. ⟨10.1063/5.0138887⟩
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A figure of merit for assessing the cooling efficiency of electrocaloric (EC) materials is defined, .....
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https://hal.science/hal-04016368/file/Cooling_efficiency_for_P_VDF_TrFE_CFE__electrocaloric_material-5.pdf BibTex
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Field-induced spin cycloidal modulation to antiferromagnetic transition and possible flexomagnetic effect in BiFeO3 nanoparticles
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Ikbel Mallek Zouari, W. Ben Taazayet, J.-M. Grenèche, Lotfi Bessais, B. Dkhil, N. Thabet Mliki
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Journal of Alloys and Compounds, 2023, 934, pp.167944. ⟨10.1016/j.jallcom.2022.167944⟩
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Beyond its various properties, the model multiferroic BiFeO3 (BFO) displays a rich magnetic structur .....
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Light: A new handle to control the structure of cesium lead iodide
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Charles Paillard, Laurent Bellaiche
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Physical Review B, 2023, 107 (5), pp.054107. ⟨10.1103/PhysRevB.107.054107⟩
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CsPbI3 is of high interest for photovoltaic applications owing to its low bandgap, provided it could .....
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https://centralesupelec.hal.science/hal-03993958/file/C%20Paillard%20Light-%20A%20new%20handle%20to%20control%20the%20structure%20of%20cesium%20lead%20iodide.pdf BibTex
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Synthesis, Photophysical Characterization and Evaluation of Biological Properties of C7, a Novel Symmetric Tetra-Imidazolium-Bis-Heterocycle
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Hannah Kunstek, Melaine Wang, Hiba Hussein, Ines Dhouib, Bassem Khemakhem, Arnaud Risler, Stephanie Philippot, Celine Frochot, Philippe Arnoux, Bertrand Fournier, Mihayl Varbanov, Florence Dumarçay-Charbonnier
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Microorganisms, 2023, 11 (2), pp.495. ⟨10.3390/microorganisms11020495⟩
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A novel symmetric tetra-imidazolium-bis-heterocycle, called C7, was designed and synthesized in a qu .....
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Role of Cu‐doping in CdTe thin films: Experiments and simulations
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Ranveer Singh, Maxime Vallet, Vijay Singh, Sanjeev K Srivastava, Alain Claverie, Tapobrata Som
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Surface and Interface Analysis, 2023, 55, pp.151 - 161. ⟨10.1002/sia.7172⟩
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Atomic-Level Response of the Domain Walls in Bismuth Ferrite in a Subcoercive-Field Regime
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Oana Condurache, Goran Dražić, Tadej Rojac, Hana Uršič, Brahim Dkhil, Andraž Bradeško, Dragan Damjanovic, Andreja Benčan
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Nano Letters, 2023, 23 (2), pp.750-756. ⟨10.1021/acs.nanolett.2c02857⟩
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The atomic-level response of zigzag ferroelectric domain walls (DWs) was investigated with in situ b .....
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Temperature dependent anisotropy in the bond lengths of UO2 as a result of phonon-induced atomic correlations
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Lionel Desgranges, Gianguido Baldinozzi, Henry E Fischer, Gerard H Lander
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Journal of Physics: Condensed Matter, 2023, 35, pp.10LT01. ⟨10.1088/1361-648X/acaf1d⟩
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Previous experiments on cubic UO2 have suggested that the temperature dependences of the nearest-nei .....
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A review of the oxygen vacancy ordering in surrogate structures simulating Pu-based nuclear ceramics
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Henry Charlton, Gianguido Baldinozzi, Maulik Patel
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Frontiers in Nuclear Engineering, 2023, 1, pp.1096142. ⟨10.3389/fnuen.2022.1096142⟩
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Advanced nuclear power systems and nuclear fuel cycles will require nuclear fuels capable of higher .....
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Monte Carlo studies of noncollinear magnetic phases in multiferroic Cu 2 OSeO 3
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Houssam Sabri, Igor Kornev
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Physical Review B, 2023, 107 (2), pp.024417. ⟨10.1103/PhysRevB.107.024417⟩
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Monte Carlo simulations based on a first-principles-derived Hamiltonian are conducted to study the f .....
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Seeking widely applicable dispersion-corrected GGA functionals: The performances of TCA+D3 and RevTCA+D3 on solid-state systems
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Eduardo Fabiano, Pietro Cortona
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Computational Materials Science, 2023, 216, pp.111826. ⟨10.1016/j.commatsci.2022.111826⟩
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Systematic study of short- and long-range correlations in RE3TaO7 weberite-type compounds by neutron total scattering and X-ray diffraction
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Igor Gussev, Eric O'Quinn, Matthew Tucker, Rodney Ewing, Cale Overstreet, Jörg Neuefeind, Michelle Everett, Qiang Zhang, David Sprouster, Daniel Olds, Gianguido Baldinozzi, Maik Lang
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Journal of Materials Chemistry A, In press, ⟨10.1039/D3TA01042B⟩
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The atomic structures of the lanthanide tantalates, Ln3TaO7, series (Ln = Pr, Tb, Dy, Ho, Tm, Yb) we .....
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Photocrystallography of [Ru(bpy) 2 (dmso) 2 ] 2+ reveals an O-bonded metastable state
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Zoe Marr, Rajani Thapa Magar, Bertrand Fournier, Jason Benedict, Jeffrey Rack
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Chemical Science, 2023, 14 (26), pp.7279-7284. ⟨10.1039/d3sc01526b⟩
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We report the first instance of observing the phototriggered isomerization of dmso ligands on a bis .....
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Optimization of tannin-derived hard carbon spheres for high-performance sodium-ion batteries
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Adrian Beda, François Rabuel, Omar Rahmouni, Mathieu Morcrette, Camélia Matei Ghimbeu
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Journal of Materials Chemistry A, 2023, 11 (8), pp.4365-4383. ⟨10.1039/D2TA07951H⟩
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The morphology (i.e., particle size and shape) of hard carbon materials remains a challenging proper .....
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Tailoring crystallisation of anatase TiO2 ultra-thin films grown by atomic layer deposition using 2D oxides as growth template
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André Grishin, Bruno Bérini, Maxime Vallet, Simon Hurand, Florian Maudet, Corinne Sartel, Mathieu Frégnaux, Sophie Nowak, Gaëlle Amiri, Said S. Hassani, Damien Aureau, Vincent Sallet, Valérie Demange, Yves Dumont
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Applied Surface Science, 2023, 641, pp.158446. ⟨10.1016/j.apsusc.2023.158446⟩
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TiO2 ultrathin films are required in many material research areas. The anatase phase was found to be .....
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Ferroelectric phase transitions in epitaxial antiferroelectric PbZrO3 thin films
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Pauline Dufour, Thomas Maroutian, Maxime Vallet, Kinnary Patel, André Chanthbouala, Charlotte Jacquemont, Lluis Yedra, Vincent Humbert, Florian Godel, Bin Xu, Sergey Prosandeev, Laurent Bellaiche, Mojca Otoničar, Stéphane Fusil, Brahim Dkhil, Vincent Garcia
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Applied Physics Reviews, 2023, 10 (2), pp.021405. ⟨10.1063/5.0143892⟩
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The archetypical antiferroelectric, PbZrO3, is currently attracting a lot of interest, but no consen .....
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Impact of the crystallographic variants of VO2 thin films on c-and r-cut sapphire on structural phase transition and radiofrequency properties
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Laura Diebold, Thomas Maroutian, Ludovic Largeau, Nicolas Guiblin, Romain Bude, Guy Garry, Olga M Ishchenko, Pascal Aubert
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Applied Physics Letters, In press, ⟨10.1063/5.0168891⟩
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Vanadium dioxide exhibits a metal to insulator transition close to room temperature, making it very .....
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Effect of A-site cation ordering on oxygen diffusion in NdBa2Fe3O8 through molecular dynamics
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Milad Moazzam, Chenyi Li, Giulio Cordaro, Guilhem Dezanneau
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Journal of Solid State Chemistry, In press, ⟨10.1016/j.jssc.2023.124148⟩
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RE 1+x Ba 2-x Fe 3 O 8+δ (RE = Pr, Nd, Sm, …) have been presented recently as potential electrode .....
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Crystallization of polarons through charge and spin ordering transitions in 1T-TaS2
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E. Bozin, M. Abeykoon, S. Conradson, Gianguido Baldinozzi, P. Sutar, D. Mihailovic
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Nature Communications, 2023, 14 (1), pp.7055. ⟨10.1038/s41467-023-42631-6⟩
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The interaction of electrons with the lattice in metals can lead to reduction of their kinetic energ .....
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Charge order, frustration relief, and spin-orbit coupling in U3O8
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Rolando Saniz, Gianguido Baldinozzi, Ine Arts, Dirk Lamoen, Gregory Leinders, Marc Verwerft
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Physical Review Materials, 2023, 7 (5), pp.054410. ⟨10.1103/PhysRevMaterials.7.054410⟩
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Research efforts on the description of the low-temperature magnetic order and electronic properties .....
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2022

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titre
A General Synthetic Route to High‐Quality Perovskite Oxide Nanoparticles and Their Enhanced Solar Photocatalytic Activity
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Wafa Amdouni, Mojca Otoničar, Pascale Gemeiner, Vincent Butin, Nicolas Guiblin, Hager Maghraoui-Meherzi, Brahim Dkhil
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Angewandte Chemie International Edition, 2022, ⟨10.1002/anie.202215700⟩
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Origin of the crossover from ferroelectric to relaxor in tetragonal tungsten bronzes
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Hongbo Liu, Brahim Dkhil
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Journal of Alloys and Compounds, 2022, 929, pp.167314. ⟨10.1016/j.jallcom.2022.167314⟩
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The polar behavior of tetragonal tungsten bronze (TTB) (SrxBa1−x)Nb2O6 (SBN) is known to vary from .....
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Controlling the properties of PbTiO 3 / SrTiO 3 superlattices by photoexcited carriers
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Carmel Dansou, Charles Paillard, Laurent Bellaiche
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Physical Review B, 2022, 106 (22), pp.L220101. ⟨10.1103/PhysRevB.106.L220101⟩
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The effect of light on properties of PbTiO3/SrTiO3 superlattices is studied using first-principles c .....
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Data-driven methods for discovery of next-generation electrostrictive materials
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Dennis Trujillo, Ashok Gurung, Jiacheng Yu, Sanjeev Nayak, S. Pamir Alpay, Pierre-Eymeric Janolin
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npj Computational Materials, 2022, 8 (1), pp.251. ⟨10.1038/s41524-022-00941-1⟩
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All dielectrics exhibit electrostriction, i.e., display a quadratic strain response to an electric f .....
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titre
Electric field control of electromagnon frequency in multiferroics
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S. Omid Sayedaghaee, Charles Paillard, Sergey Prosandeev, Sergei Prokhorenko, Yousra Nahas, Bin Xu, L. Bellaiche
article
Physical Review Materials, 2022, 6 (12), pp.124404. ⟨10.1103/PhysRevMaterials.6.124404⟩
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Electromagnons, which are coupled polar and magnetic excitations in magnetoelectric materials, are o .....
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Multifunctional Properties of Polyvinylidene-Fluoride-Based Materials: From Energy Harvesting to Energy Storage
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Matthieu Fricaudet, Katarina Žiberna, Samir Salmanov, Jens Kreisel, Delong He, Brahim Dkhil, Tadej Rojac, Mojca Otoničar, P.-E. Janolin, Andraž Bradeško
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ACS Applied Electronic Materials, 2022, 4 (11), pp.5429-5436. ⟨10.1021/acsaelm.2c01091⟩
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Organic ferroelectrics are increasingly important due to their complementary properties to classical .....
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Generalized relation between electromechanical responses at fixed voltage and fixed electric field
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Daniel Bennett, Daniel Tanner, Philippe Ghosez, Pierre-Eymeric Janolin, Eric Bousquet
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Physical Review B, 2022, 106 (17), pp.174105. ⟨10.1103/PhysRevB.106.174105⟩
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Annealing temperature effects on BiFeO3 nanoparticles towards photodegradation of Eosin B dye
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Wafa Amdouni, Lluís Yedra, Mojca Otoničar, Pascale Gemeiner, Brahim Dkhil, Hager Maghraoui-Meherzi
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Journal of Materials Science, 2022, 57 (40), pp.18726-18738. ⟨10.1007/s10853-022-07829-x⟩
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BiFeO3 is the model multiferroic material widely considered as nanoparticles for its potential photo .....
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Finite-size effects on ferroelectricity in rhombohedral HfO 2
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Francesco Delodovici, Paolo Barone, Silvia Picozzi
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Physical Review B, 2022, 106 (11), pp.115438. ⟨10.1103/PhysRevB.106.115438⟩
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In this work we analyze the finite-size effects on the structural properties and on the polarization .....
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Ultrafast Activation and Tuning of Topological Textures in Ferroelectric Nanostructures
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Sergey Prosandeev, Sergei Prokhorenko, Yousra Nahas, Julie Grollier, Diyar Talbayev, Brahim Dkhil, Laurent Bellaiche
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Advanced Electronic Materials, 2022, 8 (12), pp.2200808. ⟨10.1002/aelm.202200808⟩
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Polar topological textures are recently discovered in ultra-thin ferroelectrics, including stripe, l .....
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Self-standing ultrathin NiCo2S4@carbon nanotubes and carbon nanotubes hybrid films as battery-type electrodes for advanced flexible supercapacitors
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Minghai Yao, Xu Ji, Xing Ou, Peng Wu, Shuang Cheng
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Journal of Power Sources, 2022, 543, pp.231829. ⟨10.1016/j.jpowsour.2022.231829⟩
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An electrode with flexible construction, high capacity, and battery-type Faradaic mechanism is highl .....
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Strain-engineered divergent electrostriction in KTaO 3
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Daniel Tanner, Pierre-Eymeric Janolin, Eric Bousquet
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Physical Review B, 2022, 106 (6), pp.L060102. ⟨10.1103/PhysRevB.106.L060102⟩
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Poly((3,5-dimethylpyrazol-1-yl)methyl)benzene ligands: synthesis, crystal structure and catecholase activities
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Abdelkhalek Zerrouki, Béatrice Nicolaï, Mustapha Taleb, Nicolas Guiblin, Zahra Bahari, Sghir El Kadiri
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Structural Chemistry, 2022, ⟨10.1007/s11224-022-02014-x⟩
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Direct observation of monoclinic polar nanoregions in relaxor ferroelectric Pb ( Yb1/2 Nb1 /2 )O3 − PbTiO 3
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Hiroshi Nakajima, Satoshi Hiroi, Hirofumi Tsukasaki, Charlotte Cochard, Florence Porcher, Pierre-Eymeric Janolin, Shigeo Mori
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Physical Review Materials, 2022, 6 (7), pp.074411. ⟨10.1103/PhysRevMaterials.6.074411⟩
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Relaxor ferroelectrics are applied in electronic devices such as actuators and sonars. Morphotrophic .....
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Effect of Zn Substitution on the Structural, Optical Properties and Photocatalytic Activity of BiFeO 3 Nanopowders
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Wael Ben Taazayet, Ikbel Mallek Zouari, Pascale Gemeiner, Brahim Dkhil, Najeh Thabet Mliki
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physica status solidi (RRL) - Rapid Research Letters, 2022, 16 (7), pp.2200081. ⟨10.1002/pssr.202200081⟩
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Magnetoresponsive Devices with Programmable Behavior Using a Customized Commercial Stereolithographic 3D Printer
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Simone Lantean, Ignazio Roppolo, Marco Sangermano, Marc Hayoun, Hichem Dammak, Gabriele Barrera, Paola Tiberto, Candido Fabrizio Pirri, Laurence Bodelot, Giancarlo Rizza
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Advanced Materials Technologies, 2022, pp.2200288. ⟨10.1002/admt.202200288⟩
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The revolution of 4D printing allows combining smart materials to additive processes to create behav .....
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Toward machine learning for microscopic mechanisms: A formula search for crystal structure stability based on atomic properties
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Udaykumar Gajera, Loriano Storchi, Danila Amoroso, Francesco Delodovici, Silvia Picozzi
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Journal of Applied Physics, 2022, 131 (21), ⟨10.1063/5.0088177⟩
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Machine-learning techniques are revolutionizing the way to perform efficient materials modeling. We .....
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Strain engineering of the magnetic anisotropy and magnetic moment in NdFeO 3 epitaxial thin films
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M. A. Khaled, J. Ruvalcaba, T. Cordova-Fraga, D. Arnold, N. Jaouen, P. Ohresser, M. Jouiad, K. Hoummada, B. Dkhil, M. El Marssi, H. Bouyanfif
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Physical Review Materials, 2022, 6 (6), pp.064412. ⟨10.1103/PhysRevMaterials.6.064412⟩
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Ferroelectric polymers for neuromorphic computing
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Xuezhong Niu, Bobo Tian, Qiuxiang Zhu, Brahim Dkhil, Chungang Duan
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Applied Physics Reviews, 2022, 9 (2), pp.021309. ⟨10.1063/5.0073085⟩
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The last few decades have witnessed the rapid development of electronic computers relying on von Neu .....
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Deterministic control of ferroelectric polarization by ultrafast laser pulses
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Peng Chen, Charles Paillard, Hong Jian Zhao, Jorge Íñiguez, Laurent Bellaiche
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Nature Communications, 2022, 13 (1), pp.2566. ⟨10.1038/s41467-022-30324-5⟩
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Abstract Ultrafast light-matter interactions present a promising route to control ferroelectric pola .....
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titre
Defining "Giant" Electrostriction
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Jiacheng Yu, Pierre-Eymeric Janolin
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Journal of Applied Physics, 2022, 131 (17), pp.170701. ⟨10.1063/5.0079510⟩
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The recent discovery of "giant" electrostrictors has re-ignited the interest in electrostriction, an .....
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titre
Synthesis method of highly calibrated CsPbBr3 nanocrystals perovskites by soft chemistry
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Cédric Mayer, Hugo Levy-Falk, Maxime Rémond, Gaëlle Trippé-Allard, Frederic Fossard, Maxime Vallet, Marc Lepeltier, Nicolas Guiblin, Jean-Sébastien Lauret, Damien Garrot, Emmanuelle Deleporte
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Chemical Communications, 2022, ⟨10.1039/D2CC01028C⟩
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A new synthesis method of highly calibrated CsPbBr3 nanocrystals perovskites is described and analyz .....
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Thermal and Electron Plasma Effects on Phase Separation Dynamics Induced by Ultrashort Laser Pulses
auteur
Maxime Cavillon, Jing Cao, Maxime Vallet, François Brisset, Léo Mazerolles, Brahim Dkhil, Matthieu Lancry, Bertrand Poumellec
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Crystals, 2022, 12 (4), pp.496. ⟨10.3390/cryst12040496⟩
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During ultrafast laser-induced crystallization from glass with a non-congruent composition, a phase .....
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Domain-wall-induced electromagnons in multiferroics
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S Sayedaghaee, Sergey Prosandeev, Sergei Prokhorenko, Yousra Nahas, Charles Paillard, Bin Xu, L Bellaiche
article
Physical Review Materials, 2022, 6 (3), pp.034403. ⟨10.1103/PhysRevMaterials.6.034403⟩
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Using an atomistic approach, we predict the emergence of new hybrid quasi-particles, namely domain-w .....
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Hidden phases with neuromorphic responses and highly enhanced piezoelectricity in an antiferroelectric prototype
auteur
Sergey Prosandeev, Sergei Prokhorenko, Yousra Nahas, Yali Yang, Changsong Xu, Julie Grollier, Diyar Talbayev, Brahim Dkhil, L. Bellaiche
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Physical Review B, 2022, 105 (10), pp.L100101. ⟨10.1103/PhysRevB.105.L100101⟩
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Features of a nano-twist phase in the nanolayered Ti3AlC2 MAX phase
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Julien Guénolé, Vincent Taupin, Maxime Vallet, Wenbo Yu, Antoine Guitton
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Scripta Materialia, 2022, 210, pp.114425. ⟨10.1016/j.scriptamat.2021.114425⟩
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Complex intermetallic materials known as MAX phases exhibit exceptional properties from both metals .....
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Structure and radiation response of anion excess bixbyite Gd2Ce2O7
auteur
Maulik K Patel, Jeffery Aguiar, Kurt Sickafus, Gianguido Baldinozzi
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Physical Review Materials, 2022, 6 (1), pp.013610. ⟨10.1103/PhysRevMaterials.6.013610⟩
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Emerging spin–phonon coupling through cross-talk of two magnetic sublattices
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Mads Weber, Mael Guennou, Donald Evans, Constance Toulouse, Arkadiy Simonov, Yevheniia Kholina, Xiaoxuan Ma, Wei Ren, Shixun Cao, Michael Carpenter, Brahim Dkhil, Manfred Fiebig, Jens Kreisel
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Nature Communications, 2022, 13 (1), pp.443. ⟨10.1038/S41467-021-27267-8⟩
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Abstract Many material properties such as superconductivity, magnetoresistance or magnetoelectricity .....
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Facile synthesis of pure BiFeO3 and Bi2Fe4O9 nanostructures with enhanced photocatalytic activity
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Wael Ben Taazayet, Ikbel Mallek Zouari, Nabil Hosni, Brahim Dkhil, Najeh Thabet Mliki
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Journal of Materials Science: Materials in Electronics, 2022, 33 (5), pp.2518-2533. ⟨10.1007/s10854-021-07459-0⟩
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Large linear and nonlinear electro-optic coefficients in two-dimensional ferroelectrics
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Zhijun Jiang, Charles Paillard, Hugh O H Churchill, Minggang Xia, Shengli Zhang, Hongjun Xiang, L. Bellaiche
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Physical Review B, 2022, 106 (8), pp.L081404. ⟨10.1103/PhysRevB.106.L081404⟩
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Analytical derivations and first-principles calculations are performed to investigate the electro-op .....
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Phenomenological potentials for the refractory metals Cr, Mo and W
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Gianguido Baldinozzi, Vassilis Pontikis
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Journal of Physics: Condensed Matter, 2022, 34 (31), pp.315702. ⟨10.1088/1361-648X/ac73ce⟩
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Cohesion in the refractory metals Cr, Mo, and W is phenomenologically described in this work via a n .....
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Insight on precipitate evolution during additive manufacturing of stainless steels via in-situ heating-cooling experiments in a transmission electron microscope
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Meriem Ben Haj Slama, Lluis Yedra, Eva Heripre, Manas V Upadhyay
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Materialia, In press, ⟨10.1016/j.mtla.2022.101368⟩
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During additive manufacturing of alloys, just after local heat-matter interactions, a molten materia .....
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Anomalous structural phase transformation in swift heavy ion-irradiated δ-Sc4Hf3O12
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Masanari Iwasaki, Yusuke Kanazawa, Daiki Manago, Maulik Patel, Gianguido Baldinozzi, Kurt E. Sickafus, Manabu Ishimaru
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Journal of Applied Physics, 2022, 132, pp.075901. ⟨10.1063/5.0098518⟩
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Swift heavy ion irradiation was carried out to examine the ionization effects on structural changes .....
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Temperature-dependent properties of the antiferroelectric model PbZrO 3 : An effective Hamiltonian study
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Kinnary Patel, Bin Xu, Sergey Prosandeev, Romain Faye, Brahim Dkhil, P.-E. Janolin, Laurent Bellaiche
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Physical Review B, 2022, 106 (21), pp.214108. ⟨10.1103/PhysRevB.106.214108⟩
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A novel atomistic effective Hamiltonian scheme, incorporating an original and simple bilinear energe .....
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New Cocrystallization Method: Non-photochemical Laser-Induced Nucleation of a Cocrystal of Caffeine–Gallic Acid in Water
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Dania Mellah, Béatrice Nicolaï, Bertrand Fournier, Nada Bošnjaković-Pavlović, Francois-Xavier Legrand, Pascale Gemeiner, Vincent Boemare, Nicolas Guiblin, Ali Assi, Ali Tfayli, Sokona Konate, Pierrick Durand, Anne Spasojevic - de Biré
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Crystal Growth & Design, 2022, 22 (10), pp.5982-5995. ⟨10.1021/acs.cgd.2c00624⟩
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This paper reports for the first time the crystallization of cocrystals (caffeine–gallic acid) in .....
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Influence of CaO on the thermodynamic and transport properties of cobaltous oxide
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Z Halem, Jan Kusinski, Nacer Halem, Gianguido Baldinozzi, Georgette Petot Ervas
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Solid State Ionics, 2022, 382, pp.115946. ⟨10.1016/j.ssi.2022.115946⟩
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The electrical conductivity of Ca-doped Co_(1-x)O single crystals was measured as a function of oxyg .....
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Enhancing properties of lead-free ferroelectric BaTiO 3 through doping
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Zechao Li, Jiacheng Yu, Shenglan Hao, Pierre-Eymeric Janolin
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Journal of the European Ceramic Society, 2022, 42 (12), pp.4693-4701. ⟨10.1016/j.jeurceramsoc.2022.05.023⟩
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The substitution on either the A-or B-site of ferroelectric perovskites by aliovalent elements has a .....
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5-Fluoro-1,2,3-triazole motif in peptides and its electronic properties
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José Laxio Arenas, Pascal Retailleau, Jean-Michel Gillet, Nour-Eddine Ghermani, Sandrine Ongeri, Benoît Crousse
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Organic & Biomolecular Chemistry, 2022, 20 (43), pp.8410-8414. ⟨10.1039/D2OB01716D⟩
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The 5-fluoro triazole amino acid scaffold prepared by halogen exchange has been incorporated into pe .....
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Al/Mo/SiC multilayer diffraction gratings with broadband efficiency in the extreme ultraviolet
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Amr Hisham K. Mahmoud, Sébastien de Rossi, Evgueni Meltchakov, Blandine Capitanio, Muriel Thomasset, Maxime Vallet, Eva Héripré, Franck Delmotte
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Optics Express, 2022, 30 (21), pp.38319. ⟨10.1364/OE.468568⟩
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Al/Mo/SiC periodic and aperiodic multilayers were optimized and deposited on high groove density gra .....
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2021

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Magnetoelastic standing waves induced in UO 2 by microsecond magnetic field pulses
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Rico Schönemann, George Rodriguez, Dwight Rickel, Fedor Balakirev, Ross D Mcdonald, Jordan Evans, Boris Maiorov, Charles Paillard, Laurent Bellaiche, Andreas Stier, Myron B Salamon, Krzysztof Gofryk, Marcelo Jaime
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Proceedings of the National Academy of Sciences of the United States of America, 2021, 118 (51), pp.e2110555118. ⟨10.1073/pnas.2110555118⟩
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Magnetoelastic dilatometry of the piezomagnetic antiferromagnet UO 2 was performed via the fiber Bra .....
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Scalemic Mixtures Preparation for Optimized Composition of Ibuprofen Solid Dosage Forms
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Yohann Corvis, Nicolas Guiblin, Philippe Négrier, Ivan Marenco, Oumar Dembele, Philippe Espeau
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European Journal of Pharmaceutics and Biopharmaceutics, In press, ⟨10.1016/j.ejpb.2021.09.008⟩
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Charge-transfer driven ferromagnetism in a disordered three-dimensional 3d-5d spin system
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Supratik Dasgupta, Philipp Komissinskiy, Pavan Nukala, Iliya Radulov, Andrei Rogalev, Fabrice Wilhelm, Márton Major, Jasnamol Palakkal, Aldin Radetinac, Lambert Alff
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Journal of Magnetism and Magnetic Materials, 2021, 539, pp.168330. ⟨10.1016/j.jmmm.2021.168330⟩
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A three-dimensional disordered spin system consisting of 3d transition metal ion Mn4+ with strong el .....
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Programming the microstructure of magnetic nanocomposites in DLP 3D printing
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Simone Lantean, Ignazio Roppolo, Marco Sangermano, Marc Hayoun, Hichem Dammak, Giancarlo Rizza
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Additive Manufacturing, 2021, 47, pp.102343. ⟨10.1016/j.addma.2021.102343⟩
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The ability to program the behavior of magneto-reactive polymers requires the fine control of their .....
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High temperature mechanical properties of polycrystalline Y2SiO5
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Rafael Cabezas-Rodriguez, Desirée Ciria, Julián Martinez-Fernandez, Guilhem Dezanneau, Fabienne Karolak, Joaquín Ramirez-Rico
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Boletín de la Sociedad Española de Cerámica y Vidrio, 2021, 61, pp.S60 - S68. ⟨10.1016/j.bsecv.2021.09.008⟩
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The high temperature mechanical properties of polycrystalline Y2SiO5 were studied in compression at .....
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Optimized Methodology for the Calculation of Electrostriction from First‐Principles
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Daniel Tanner, Eric Bousquet, Pierre‐eymeric Janolin
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Small, 2021, pp.2103419. ⟨10.1002/smll.202103419⟩
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N -Representable one-electron reduced density matrices reconstruction at non-zero temperatures
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Yoann Launay, Jean-Michel Gillet
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Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-..], 2021, 77 (5), pp.683-694. ⟨10.1107/S2052520621007228⟩
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This article retraces different methods that have been explored to account for the atomic thermal mo .....
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Effects of A-site atoms in Ti2AlC and Ti3SiC2 MAX phases reinforced Mg composites: Interfacial structure and mechanical properties
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Wenbo Yu, Xufeng Pi, Wantong Chen, Maxime Vallet, Antoine Guitton, Laiqi Zhang
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Materials Science and Engineering: A, 2021, 826, pp.141961. ⟨10.1016/j.msea.2021.141961⟩
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AZ91D magnesium composites reinforced by Ti3SiC2 MAX phase were fabricated by the stir casting techn .....
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Towards the design, synthesis and preliminary biological evaluation of potential corono and clipcarbenes: Novel bis-imidazolium-bis-heterocycle macrocyclic ligands
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Hiba Hussein, Mihayl Varbanov, Bertrand Fournier, Florence Dumarçay-Charbonnier
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Tetrahedron Letters, 2021, 79, pp.153288. ⟨10.1016/j.tetlet.2021.153288⟩
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The synthesis of novel macrocyclic N-bis-imidazolium-bis-heterocyclic carbenes (NHCs) with rigid and .....
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Tuning morphology of Pickering emulsions stabilised by biodegradable PLGA nanoparticles: How PLGA characteristics influence emulsion properties
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Baptiste Robin, Claire Albert, Mohamed Beladjine, François-Xavier Legrand, Sandrine Geiger, Laurence Moine, Valérie Nicolas, Alexis Canette, Michaël Trichet, Nicolas Tsapis, Florence Agnely, Nicolas Huang
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Journal of Colloid and Interface Science, 2021, 595, pp.202-211. ⟨10.1016/j.jcis.2021.03.061⟩
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In this study, we proved that the stabilisation of Pickering emulsions by polymer nanoparticles (NPs .....
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Doping-induced Polar Defects Improve the Electrocaloric Performance of Ba 0.9 Sr 0.1 Hf 0.1 Ti 0.9 O 3
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Junning Li, Jing Lv, Dawei Zhang, Lixue Zhang, Xihong Hao, Ming Wu, Bai-Xiang Xu, Mojca Otonicar, Turab Lookman, Brahim Dkhil, Xiaojie Lou
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Physical Review Applied, 2021, 16 (014033), ⟨10.1103/PhysRevApplied.16.014033⟩
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Self-irradiation-induced disorder in (U 238Pu) O2
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Emanuele de Bona, Jean-Yves Colle, Oliver Dieste, Marco Cologna, Thierry Wiss, Gianguido Baldinozzi, Rudy Konings
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MRS Advances, 2021, 6, ⟨10.1557/s43580-021-00040-1⟩
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238Pu-doped UO2 was characterised periodically to investigate the long-term effects of α-self-irrad .....
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Atomistic analysis of piezoelectric potential fluctuations in zinc-blende InGaN/GaN quantum wells: A Stillinger-Weber potential based analysis
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Thomas Sheerin, Daniel Tanner, Stefan Schulz
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Physical Review B, 2021, 103 (16), pp.165201. ⟨10.1103/PhysRevB.103.165201⟩
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In this paper we investigate strain and local polarization field effects in zinc-blende indium galli .....
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Ferroelectric Synaptic Transistor Network for Associative Memory
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Mengge Yan, Qiuxiang Zhu, Siqi Wang, Yiming Ren, Guangdi Feng, Lan Liu, Hui Peng, Yuhui He, Jianlu Wang, Peng Zhou, Xiangjian Meng, Xiaodong Tang, Junhao Chu, Brahim Dkhil, Bobo Tian, Chungang Duan
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Advanced Electronic Materials, 2021, 7 (4), pp.2001276. ⟨10.1002/aelm.202001276⟩
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Electronic interactions between Graphene and cobaltite thin film La0.7Sr0.3CoO3 and its magnetic consequences
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Zied Othmen, Riadh Othmen, Kais Daoudi, Michel Boudard, Antonella Cavanna, Ali Madouri, Pascale Gemeiner, Doru C Lupascu, Meherzi Oueslati, Brahim Dkhil
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Surfaces and Interfaces, 2021, 23, pp.100919. ⟨10.1016/j.surfin.2020.100919⟩
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We have successfully synthesized and transferred graphene (Gr) monolayers on top of epitaxial mixed .....
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Influence of the stoichiometry, microstructure, and metallization method on the dielectric properties of 0.94 Na 0.5 Bi 0.5 TiO 3 ‐0.06 BaTiO 3
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Vitória Mussi Toschi, Christine Bogicevic, Houssny Bouyanfif, Henri Laville, Pierre‐eymeric Janolin
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Journal of the American Ceramic Society, 2021, 104 (10), pp.5257-5269. ⟨10.1111/jace.17884⟩
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New approach for designing bulk multiferroic composites made of two perovskite oxides with enhanced direct magnetoelectric coupling
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A. Marzouki, M. Yao, S. Salmanov, Vincent Loyau, A. Megriche, B. Dkhil, M. Otoničar
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Scripta Materialia, 2021, 194, pp.113673. ⟨10.1016/j.scriptamat.2020.113673⟩
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Structural complexity of Y6BO12 fluorite-related ternary oxides
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Gianguido Baldinozzi, Luis Casillas-Trujillo, Maulik K Patel, Kurt E Sickafus
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MRS Advances, 2021, 6 (4), pp.107-111. ⟨10.1557/s43580-021-00038-9⟩
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Oxides with generic stoichiometry M7O12 occupy, in a generic phase diagram, an intermediate place be .....
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Spin-resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO 3 perovskite
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Iurii Kibalin, Ariste Bolivard Voufack, Mohamed Souhassou, Béatrice Gillon, Jean-Michel Gillet, Nicolas Claiser, Arsen Gukasov, Florence Porcher, Claude Lecomte
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Acta Crystallographica Section A : Foundations and Advances [2014-..], 2021, 77 (2), pp.96-104. ⟨10.1107/S205327332001637X⟩
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A new crystallographic method is proposed in order to refine a spin-resolved atomic orbital model ag .....
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Tiny dexamethasone palmitate nanoparticles for intravitreal injection: optimization and in vivo evaluation
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Romain Canioni, Franceline Reynaud, Thais Leite-Nascimento, Claire Gueutin, Nicolas Guiblin, Nour-Eddine Ghermani, Christine Jayat, Philippe Daull, Jean-Sébastien Garrigue, Elias Fattal, Nicolas Tsapis
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International Journal of Pharmaceutics, 2021, 600, pp.120509. ⟨10.1016/j.ijpharm.2021.120509⟩
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Tiny nanoparticles of dexamethasone palmitate (DXP) were designed as transparent suspensions for int .....
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Surface and bulk ferroelectric phase transition in super-tetragonal BiFeO 3 thin films
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Myriam Lachheb, Qiuxiang Zhu, Stéphane Fusil, Qiang Wu, Cécile Carrétéro, Aymeric Vecchiola, Manuel Bibes, Dominique Martinotti, Claire Mathieu, Christophe Lubin, Alexandre Pancotti, Xiaoyan Li-Bourrelier, Alexandre Gloter, Brahim Dkhil, Vincent Garcia, Nick Barrett
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Physical Review Materials, 2021, 5 (2), pp.024410. ⟨10.1103/PhysRevMaterials.5.024410⟩
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The temperature-dependent ferroelectric properties of super-tetragonal BiFeO3 are investigated using .....
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Enhanced photoluminescence and photocatalytic performance of a TiO 2 –ZnWO 4 nanocomposite induced by oxygen vacancies
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Hainan Liu, Xiaoru Zhao, Hao Shen, Shenglan Hao, Xianwu Jiang
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CrystEngComm, 2021, 23 (6), pp.1336-1344. ⟨10.1039/d0ce01500h⟩
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We reported the enhanced photoluminescence and photocatalytic performance of a TiO 2 –ZnWO 4 nanoc .....
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Patterning enhanced tetragonality in BiFeO3 thin films with effective negative pressure by helium implantation
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C. Toulouse, J. Fischer, S. Farokhipoor, L. Yedra, F. Carlà, A. Jarnac, E. Elkaim, P. Fertey, J.-N. Audinot, T. Wirtz, B. Noheda, V Garcia, S. Fusil, I. Peral Peral Alonso, M. Guennou, J. Kreisel
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Physical Review Materials, 2021, 5 (2), ⟨10.1103/PHYSREVMATERIALS.5.024404⟩
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Enhanced electrocaloric effect in BaSn/TiO3 ceramics by addition of CuO
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Yuting Wang, Junning Li, Ruihao Yuan, Hongcheng Gao, Jing Lv, Dezhen Xue, Xihong Hao, Yaodong Yang, Turab Lookman, Brahim Dkhil, Xiaojie Lou
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Journal of Alloys and Compounds, 2021, 851, pp.156772. ⟨10.1016/j.jallcom.2020.156772⟩
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Ultrafast Neuromorphic Dynamics Using Hidden Phases in the Prototype of Relaxor Ferroelectrics
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Sergey Prosandeev, Julie Grollier, Diyar Talbayev, Brahim Dkhil, L. Bellaiche
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Physical Review Letters, 2021, 126 (2), ⟨10.1103/PhysRevLett.126.027602⟩
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Single-step, High Pressure, and Two-Step Spark Plasma Sintering of UO2 nanopowders
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E. de Bona, L. Balice, L. Cognini, M. Holzhäuser, K. Popa, O. Walter, M. Cologna, D. Prieur, T. Wiss, Gianguido Baldinozzi
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Journal of the European Ceramic Society, 2021, ⟨10.1016/j.jeurceramsoc.2021.01.020⟩
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Effect of the polar distortion on the thermoelectric properties of GeTe
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Aida Sheibani Gunder, Charles Paillard, Abhyian Pandit, Raad Haleoot, Laurent Bellaiche, Bothina Hamad
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The European Physical Journal B: Condensed Matter and Complex Systems, 2021, 94 (1), pp.11. ⟨10.1140/epjb/s10051-020-00019-1⟩
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Charge localization and magnetic correlations in the refined structure of U3O7
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Gregory Leinders, Gianguido Baldinozzi, Clemens Ritter, Rolando Saniz, Ine Arts, Dirk Lamoen, Marc Verwerft
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Inorganic Chemistry, In press, ⟨10.1021/acs.inorgchem.1c01212⟩
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Atomic arrangements in the mixed-valence oxide U3O7 are refined from high-resolution neutron scatter .....
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Spin-polarized electronic states and atomic reconstructions at antiperovskite Sr3SnO( 001 ) polar surfaces
auteur
Rémi Arras, J. Gosteau, D. Huang, H. Nakamura, H. J Zhao, C. Paillard, L. Bellaiche
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Physical Review B, 2021, 104 (4), ⟨10.1103/PhysRevB.104.045411⟩
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We report a first-principles investigation of the atomic and electronic properties at the perfect an .....
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High-temperature mechanical behavior of proton-conducting yttrium-doped barium zirconate perovskite
auteur
D. Ciria, V. Aubin, M. Jimenez-Melendo, G. Dezanneau
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Journal of the European Ceramic Society, 2021, 41 (2), pp.1374-1383. ⟨10.1016/j.jeurceramsoc.2020.09.069⟩
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The high-temperature mechanical properties of yttrium doped barium zirconate obtained by two differe .....
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Extremely Overdoped Superconducting Cuprates via High Pressure Oxygenation Methods
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Linda Sederholm, Steven D Conradson, Theodore H Geballe, Chang-Qing Jin, Andrea Gauzzi, Edmondo Gilioli, Maarit Karppinen, Gianguido Baldinozzi
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Condensed Matter, 2021, 6 (4), pp.50. ⟨10.3390/condmat6040050⟩
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Within the cuprate constellation, one fixed star has been the superconducting dome in the quantum ph .....
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Anti-polar state in BiFeO3/NdFeO3 superlattices
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M. A. Khaled, D. C. Arnold, Brahim Dkhil, M. Jouiad, K. Hoummada, M. El Marssi, H. Bouyanfif
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Journal of Applied Physics, 2021, 130 (24), ⟨10.1063/5.0073668⟩
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Antiferroelectrics are promising materials for high energy density capacitors, and the search for en .....
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Spin-orbit effects in ferroelectric PbTiO3 under tensile strain
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J. Gosteau, Rémi Arras, P. Chen, H. Zhao, Charles Paillard, Laurent Bellaiche
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Physical Review B, 2021, 103 (2), pp.024416. ⟨10.1103/PhysRevB.103.024416⟩
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We report a study based on first-principles calculations complemented by a tight-binding approach an .....
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Non-oxide precipitates in additively manufactured austenitic stainless steel
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Manas Vijay Upadhyay, Meriem Ben Haj Slama, Steve Gaudez, Nikhil Mohanan, Lluis Yedra, Simon Hallais, Eva Héripré, Alexandre Tanguy
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Scientific Reports, In press, ⟨10.1038/s41598-021-89873-2⟩
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Precipitates in an austenitic stainless steel fabricated via any Additive Manufacturing (AM), or 3D .....
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Energetic Couplings in Ferroics
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Hong Jian Zhao, Peng Chen, Sergey Prosandeev, Charles Paillard, Kinnary Patel, Jorge Íñiguez, Laurent Bellaiche
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Advanced Electronic Materials, In press, ⟨10.1002/aelm.202100639⟩
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Ferroics include diverse degrees of freedom (such as structural distortions and magnetic moments) am .....
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Optical absorption by design in a ferroelectric: co-doping in BaTiO3
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Shenglan Hao, Minghai Yao, Gaëlle Vitali-Derrien, Pascale Gemeiner, Mojca Otonicar, Pascal Ruello, Housnny Bouyanfif, Pierre-Eymeric Janolin, Brahim Dkhil, Charles Paillard
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Journal of Materials Chemistry C, In press, ⟨10.1039/D1TC04250E⟩
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The combination of significant polarization and large light absorption is a challenge in ferroelectr .....
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2020

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Ultrafast light-induced shear strain probed by time-resolved x-ray diffraction: Multiferroic BiFeO3 as a case study
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V Juvé, R Gu, S Gable, T Maroutian, G Vaudel, S Matzen, Nikolay Chigarev, Samuel Raetz, Vitali Goussev, M Viret, A Jarnac, C Laulhé, A A Maznev, B Dkhil, P Ruello
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Physical Review B, 2020, ⟨10.1103/PhysRevB.102.220303⟩
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Enabling the light control of complex systems on ultrashort timescales gives rise to rich physics wi .....
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Nonadiabatic coupling of the dynamical structure to the superconductivity in YSr2Cu2.75Mo0.25O7.54 and Sr2CuO3.3
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Steven D Conradson, Theodore H Geballe, Chang-Qing Jin, Li-Peng Cao, Andrea Gauzzi, Maarit Karppinen, Gianguido Baldinozzi, Wen-Min Li, Edmondo Gilioli, Jack M Jiang, Matthew Latimer, Oliver Mueller, Venera Nasretdinova
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Proceedings of the National Academy of Sciences of the United States of America, 2020, ⟨10.1073/pnas.2018336117⟩
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A crucial issue in cuprates is the extent and mechanism of the coupling of the lattice to the electr .....
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Strain control of layer-resolved negative capacitance in superlattices
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Raymond Walter, Sergey Prosandeev, Charles Paillard, L. Bellaiche
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npj Computational Materials, 2020, 6 (1), pp.186. ⟨10.1038/s41524-020-00459-4⟩
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Negative capacitance in BaTiO 3 /SrTiO 3 superlattices is investigated by Monte Carlo simulations in .....
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Optical and structural properties of In-rich InxGa1−xAs epitaxial layers on (1 0 0) InP for SWIR detectors
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Badreddine Smiri, Marwa Ben Arbia, Demir Ilkay, Faouzi Saidi, Zied Othmen, Brahim Dkhil, Altuntas Ismail, Elagoz Sezai, Fredj Hassen, Hassen Maaref
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Materials Science and Engineering: B, 2020, 262, pp.114769. ⟨10.1016/j.mseb.2020.114769⟩
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In-rich InxGa1−xAs epitaxial layers were grown on InP (1 0 0) substrates by a metalorganic vapor p .....
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Purely Cubic Spin Splittings with Persistent Spin Textures
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Hong Jian Zhao, Hiro Nakamura, Rémi Arras, Charles Paillard, Peng Chen, Julien Gosteau, Xu Li, Yurong Yang, Laurent Bellaiche
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Physical Review Letters, 2020, 125 (21), ⟨10.1103/PhysRevLett.125.216405⟩
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Purely cubic spin splittings in the band structure of bulk insulators have not been extensively inve .....
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Electronic and excitonic properties of ultrathin (In,Ga)N layers: the role of alloy and monolayer width fluctuations
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Daniel Tanner, Stefan Schulz
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Nanoscale, 2020, 12 (39), pp.20258-20269. ⟨10.1039/d0nr03748f⟩
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Atomistic many-body calculations reveal that small structural inhomogeneities in ultrathin (In,Ga)N .....
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Local Immiscibility Control on Shape and Size of Nano-Objects in Solvo-Thermal Process: Implications for Ferroelectric Nano-Particles
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Christine Bogicevic, Pierre-Eymeric Janolin
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ACS Applied Nano Materials, 2020, ⟨10.1021/acsanm.0c02010⟩
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Solvo-thermal synthesis is an effective method to obtain ferroelectric nano-particles. The morpholog .....
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Effect of Mn and Ba Codoping on a Magnetic Spin Cycloid of Multiferroic Bismuth Ferrite Nanoparticles
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Astita Dubey, Marianela Escobar Castillo, Joachim Landers, Soma Salamon, Heiko Wende, Ulrich Hagemann, Pascale Gemeiner, Brahim Dkhil, Vladimir Shvartsman, Doru Lupascu
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Journal of Physical Chemistry C, 2020, 124 (40), pp.22266-22277. ⟨10.1021/acs.jpcc.0c05778⟩
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Bismuth ferrite (BFO) is the drosophila of research in multiferroic materials due to its simultaneou .....
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Electrically driven transient and permanent phase transformations in highly strained epitaxial BiFeO 3 thin films
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Hyeon Jun Lee, Jeongyong Kim, Seung Hyun Hwang, Hyeokmin Choe, Semen Gorfman, Yeong-Jae Heo, Su Yong Lee, Pierre-Eymeric Janolin, Igor Kornev, Tobias Schülli, Carsten Richter, Joo-Hyoung Lee, Ullrich Pietsch, Chan-Ho Yang, Ji Young Jo
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APL Materials, 2020, 8 (10), pp.101110. ⟨10.1063/5.0025673⟩
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The Solar Orbiter Radio and Plasma Waves (RPW) instrument
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M. Maksimovic, S. D. Bale, Thomas Chust, Y. Khotyaintsev, V. Krasnoselskikh, M. Kretzschmar, D. Plettemeier, H. O. Rucker, J. Souček, M. Steller, Š. Štverák, P. Trávníček, A. Vaivads, S. Chaintreuil, M. Dekkali, O. Alexandrova, P.-A. Astier, G. Barbary, D. Bérard, X. Bonnin, K. Boughedada, B. Cecconi, F. Chapron, M. Chariet, C. Collin, Y. de Conchy, D. Dias, L. Guéguen, L. Lamy, V. Leray, Sonny Lion,, L. R. Malac-Allain, L. Matteini, Q. N. Nguyen, F. Pantellini, J. Parisot, P. Plasson, S. Thijs, A. Vecchio, I. Fratter, E. Bellouard, E. Lorfèvre, P. Danto, S. Julien, E. Guilhem, C. Fiachetti, J. Sanisidro, C. Laffaye, F. Gonzalez, B. Pontet, N. Quéruel, G. Jannet, P. Fergeau, J.-Y. Brochot, G. Cassam-Chenai, T. Dudok de Wit, M. Timofeeva, T. Vincent, C. Agrapart, G. T. Delory, P. Turin, Alexis Jeandet, P. Leroy, J.-C. Pellion, V. Bouzid, Bruno Katra, Rodrigue Piberne, W. Recart, O. Santolík, I. Kolmašová, V. Krupař, O. Krupařová, D. Píša, L. Uhlíř, R. Lán, J. Baše, L. Ahlèn, M. André, L. Bylander, V. Cripps, C. Cully, A. Eriksson, S.-E. Jansson, E. P. G. Johansson, T. Karlsson, W. Puccio, J. Břínek, H. Öttacher, M. Panchenko, Matthieu Berthomier, K. Goetz, P. Hellinger, T. S. Horbury, K. Issautier, E. Kontar, S. Krucker, Olivier Le Contel, P. Louarn, M. Martinović, C. J. Owen, Alessandro Retinò, J. Rodríguez-Pacheco, F. Sahraoui, R. F. Wimmer-Schweingruber, A. Zaslavsky, I. Zouganelis
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Astronomy and Astrophysics - A&A, 2020, 642, pp.A12. ⟨10.1051/0004-6361/201936214⟩
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The Radio and Plasma Waves (RPW) instrument on the ESA Solar Orbiter mission is described in this pa .....
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Domain structure and dielectric properties of metal-ferroelectric superlattices with asymmetric interfaces
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Marios Hadjimichael, Yaqi Li, Lluís Yedra, Brahim Dkhil, Pavlo Zubko
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Physical Review Materials, 2020, 4 (9), pp.094415. ⟨10.1103/PhysRevMaterials.4.094415⟩
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Disorder in Ho 2 Ti 2−x Zr x O 7 : pyrochlore to defect fluorite solid solution series
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Devon L Drey, Eric O'Quinn, Tamilarasan Subramani, Kristina Lilova, Gianguido Baldinozzi, Igor M Gussev, Antonio F Fuentes, Joerg C Neuefeind, Michelle Everett, David Sprouster, Alexandra Navrotsky, Rodney C Ewing, Maik Lang
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RSC Advances, 2020, 10 (57), pp.34632-34650. ⟨10.1039/D0RA07118H⟩
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Pyrochlore (A 2 B 2 O 7) is an important, isometric structure-type because of its large variety of c .....
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Divergent short-and long-range behavior in ion-irradiated δ-Sc4 Hf3 O12
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Maulik K Patel, Kurt E Sickafus, Gianguido Baldinozzi
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Physical Review Materials, 2020, ⟨10.1103/PhysRevMaterials.4.093605⟩
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Ion irradiation experiments and quantitative x-ray diffraction analysis were used to demonstrate tha .....
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Macroscopic polarization in the nominally ergodic relaxor state of lead magnesium niobate
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Lukas Riemer, Kanghyun Chu, Yang Li, Hana Uršič, Andrew Bell, Brahim Dkhil, Dragan Damjanovic
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Applied Physics Letters, 2020, 117 (10), pp.102901. ⟨10.1063/5.0018243⟩
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Heat flow in electrocaloric multilayer capacitors
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Romain Faye, Tomoyasu Usui, Alvar Torello, Brahim Dkhil, Xavier Moya, Neil Mathur, Sakyo Hirose, Emmanuel Defay
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Journal of Alloys and Compounds, 2020, 834, pp.155042. ⟨10.1016/j.jallcom.2020.155042⟩
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Multilayer capacitors (MLCs) represent promising electrocaloric (EC) cooling elements because they o .....
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Thermodynamic and Structural Powder Diffraction Studies of the Polymorphism of Florfenicol
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Bernard Legendre, Mehrez Sghaier, Nicolas Guiblin, Nour-Eddine Ghermani
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Journal of Pharmaceutical Sciences, 2020, ⟨10.1016/j.xphs.2020.07.017⟩
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Local order of orthorhombic weberite-type Y3TaO7 as determined by neutron total scattering and density functional theory calculations
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Igor Gussev, Eric O'Quinn, Gianguido Baldinozzi, Jörg Neuefeind, Rodney Ewing, Fuxiang Zhang, Maik Lang
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Acta Materialia, In press, ⟨10.1016/j.actamat.2020.07.005⟩
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Weberite-type oxides are a family of oxides with A3BO7 stoichiometry that can adopt different space .....
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Physical investigations on LaMn1−xNixO3 perovskite sprayed thin films along with surface magnetic applications
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B. Gharbi, A. Boukhachem, M. Amlouk, M. Oueslati, B. Dkhil, A. Meftah
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Applied physics. A, Materials science & processing, 2020, 126 (8), pp.604. ⟨10.1007/s00339-020-03794-x⟩
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Skewed electronic band structure induced by electric polarization in ferroelectric BaTiO3
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Norihiro Oshime, Jun Kano, Eiji Ikenaga, Shintaro Yasui, Yosuke Hamasaki, Sou Yasuhara, Satoshi Hinokuma, Naoshi Ikeda, Pierre-Eymeric Janolin, Jean-Michel Kiat, Mitsuru Itoh, Takayoshi Yokoya, Tatsuo Fujii, Akira Yasui, Hitoshi Osawa
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Scientific Reports, 2020, 10 (10702), ⟨10.1038/s41598-020-67651-w⟩
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Abstract Skewed band structures have been empirically described in ferroelectric materials to explai .....
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Large spin splittings due to the orbital degree of freedom and spin textures in a ferroelectric nitride perovskite
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Hong Jian Zhao, Peng Chen, Charles Paillard, Rémi Arras, Yue-Wen Fang, Xu Li, Julien Gosteau, Yurong Yang, Laurent Bellaiche
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Physical Review B, 2020, 102 (4), pp.041203. ⟨10.1103/PhysRevB.102.041203⟩
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First-principles simulations are conducted to predict that ferroelectric nitride perovskite LaWN 3 n .....
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Charge compensation mechanisms in Nd-doped UO2 samples for stoichiometric and hypo-stoichiometric conditions: Lack of miscibility gap
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Bernardo Herrero, René Bes, F. Audubert, Nicolas Clavier, Myrtille O.J.Y. Hunault, Gianguido Baldinozzi
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Journal of Nuclear Materials, 2020, pp.152276. ⟨10.1016/j.jnucmat.2020.152276⟩
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10 Highlights 11  Description of the solubility of the U 1-y Nd y O 2±x system at room temperatu .....
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Strain-induced resonances in the dynamical quadratic magnetoelectric response of multiferroics
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S. Omid Sayedaghaee, Charles Paillard, Sergey Prosandeev, Bin Xu, Laurent Bellaiche
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npj Computational Materials, 2020, 6 (1), pp.60. ⟨10.1038/s41524-020-0311-z⟩
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For the last few years, the research interest in magnetoelectric (ME) effect, which is the cross-cou .....
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Enhanced transient negative capacitance during inhomogeneous ferroelectric switching
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Bin Xu, Sergey Prosandeev, Charles Paillard, L. Bellaiche
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Physical Review B, 2020, 101 (18), pp.180101. ⟨10.1103/PhysRevB.101.180101⟩
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The reversal of polarization in a ferroelectric material involves overcoming an energy barrier, and .....
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Electric and antiferromagnetic chiral textures at multiferroic domain walls
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J.-Y. Chauleau, T. Chirac, S. Fusil, Vincent Garcia, W. Akhtar, J. Tranchida, P. Thibaudeau, I. Gross, C. Blouzon, A. Finco, M. Bibes, B. Dkhil, D. Khalyavin, P. Manuel, Vincent Jacques, N. Jaouen, M. Viret
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Nature Materials, 2020, 19, pp.386-390. ⟨10.1038/s41563-019-0516-z⟩
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Chirality, a foundational concept throughout science, may arise at ferromagnetic domain walls 1 22 a .....
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Creep properties of high dense La9.33Si6O26 electrolyte for SOFCs
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D. Ciria, M. Jiménez-Melendo, V. Aubin, G. Dezanneau
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Journal of the European Ceramic Society, 2020, 40 (5), pp.1989-1998. ⟨10.1016/j.jeurceramsoc.2020.01.004⟩
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Interfacial Strain Gradients Control Nanoscale Domain Morphology in Epitaxial BiFeO3 Multiferroic Films
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Daniel Sando, Mengjiao Han, Vivasha Govinden, Oliver Paull, Florian Appert, Cécile Carrétéro, Johanna Fischer, Agnès Barthélémy, Manuel Bibes, Vincent Garcia, Stéphane Fusil, Brahim Dkhil, Jean Juraszek, Yinlian Zhu, Xiuliang Ma, Valanoor Nagarajan
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Advanced Functional Materials, 2020, 30 (22), pp.2000343. ⟨10.1002/adfm.202000343⟩
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In ferroelectric thin films, the domain structure defines ferroelectric switching pathways and thus .....
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Research progress on solutions to the sneak path issue in memristor crossbar arrays
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Lingyun Shi, Guohao Zheng, Bobo Tian, Brahim Dkhil, Chungang Duan
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Nanoscale Advances, 2020, 2 (5), pp.1811-1827. ⟨10.1039/D0NA00100G⟩
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This review timely surveyed recent progress on solutions to the sneak path issue in memristor crossb .....
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Microstructure and electrical transport mechanisms of the Ca-doped LaMnO3 films grown on MgO substrate
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K. Daoudi, S. El-Helali, Z. Othmen, B.M. Suleiman, T. Tsuchiya
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Journal of Materiomics, 2020, 6 (1), pp.17-23. ⟨10.1016/j.jmat.2019.10.002⟩
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La0.7Ca0.3MnO3 (LCMO) thin films have been grown on MgO substrate using the metal organic deposition .....
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Local lattice distortions and dynamics in extremely overdoped superconducting YSr 2 Cu 2.75 Mo 0.25 O 7.54
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Steven D. Conradson, Theodore Geballe, Andrea Gauzzi, Maarit Karppinen, Changqing Jin, Gianguido Baldinozzi, Wenmin Li, Lipeng Cao, Edmondo Gilioli, Jack Jiang, Matthew Latimer, Oliver Mueller, Venera Nasretdinova
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Proceedings of the National Academy of Sciences of the United States of America, 2020, 117, pp.4559-4564. ⟨10.1073/pnas.1918704117⟩
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A common characteristic of many "overdoped" cuprates prepared with high-pressure oxygen is T c value .....
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Local structure of Sr 2 CuO 3.3 , a 95 K cuprate superconductor without CuO 2 planes
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Steven D. Conradson, Theodore Geballe, Changqing Jin, Lipeng Cao, Gianguido Baldinozzi, Jack Jiang, Matthew Latimer, Oliver Mueller
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Proceedings of the National Academy of Sciences of the United States of America, 2020, pp.4565-4570. ⟨10.1073/pnas.1918890117⟩
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The local structure of the highly "overdoped" 95 K superconductor Sr 2 CuO 3.3 determined by Cu K X- .....
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Inverse transition of labyrinthine domain patterns in ferroelectric thin films
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Y. Nahas, S. Prokhorenko, J. Fischer, B. Xu, C. Carretero, S. Prosandeev, M. Bibes, S. Fusil, B. Dkhil, V. Garcia, L. Bellaiche
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Nature, 2020, ⟨10.1038/s41586-019-1845-4⟩
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Phase separation is a cooperative process whose kinetics underpins the orderly morphogenesis of doma .....
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Model for vibronic excitation of CH + by resonant scattering of electron
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X Jiang, C Yuen, P Cortona, V Kokoouline, M Ayouz
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Journal of Physics: Conference Series, 2020, 1412 (14), pp.142031. ⟨10.1088/1742-6596/1412/14/142031⟩
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Synopsis A new model for theoretical study of vibronic (de-)excitation (including vibrational (de-)e .....
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Theoretical study of vibrational excitation and dissociative electron attachment of NO 2 by an electron impact
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Hainan Liu, S Santos, C Yuen, Pietro Cortona, V Kokoouline, Mehdi Ayouz
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Journal of Physics: Conference Series, 2020, 1412 (17), pp.172002. ⟨10.1088/1742-6596/1412/17/172002⟩
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Synopsis Cross sections for vibrational excitation and dissociative electron attachment (DEA) of the .....
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Electrocalorics hit the top
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M. Otoničar, B. Dkhil
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Nature Materials, 2020, 19 (1), pp.9-11. ⟨10.1038/s41563-019-0522-1⟩
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Inferring the one-electron reduced density matrix of molecular crystals from experimental data sets through semidefinite programming
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Benjamin de Bruyne, Jean-Michel Gillet
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Acta Crystallographica Section A : Foundations and Advances [2014-..], 2020, 76 (1), pp.1-6. ⟨10.1107/S2053273319015870⟩
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Constructing a quantum description of crystals from scattering experiments is of paramount importanc .....
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A theoretical investigation of the effect of fluorination and bromination on the optoelectronic properties of tetrathienophenazine derivatives
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Koussai Lazaar, Saber Gueddida, Dietrich Foerster, Moncef Said
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Computational Materials Science, 2020, 177, pp.109578. ⟨10.1016/j.commatsci.2020.109578⟩
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The electronic and optical properties of crystalline tetrathienophenazine derivatives (l-TTP, m-TTP, .....
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Unravelling crystal superstructures and transformations in the La 6-x MoO 12-δ (0.6≤ x ≤ 3.0) series. A system with tailored ionic/electronic conductivity.
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Adrián López-Vergara, Lucía Vizcaíno-Anaya, Jose Porras-Vázquez, Gianguido Baldinozzi, Lucia dos Santos-Gómez, Jesús Canales-Vázquez, David Marrero-Lopez, Enrique Losilla
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Chemistry of Materials, In press, ⟨10.1021/acs.chemmater.0c02673⟩
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Crystalline La6-xMoO12-δ materials with different lanthanum/molybdenum ratios (0.6 ≤ x ≤ 3.0) h .....
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Increase of magnetic and magnetoelectric properties in Co/Mn co-doped BiFeO3 multiferroic
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Arij Marzouki, Vincent Loyau, Pascale Gemeiner, Lotfi Bessais, Brahim Dkhil, Adel Megriche
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Journal of Magnetism and Magnetic Materials, 2020, 498, pp.166137. ⟨10.1016/j.jmmm.2019.166137⟩
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Co and Mn co-doped BiFeO3 samples are successfully realized using a stirred hydrothermal route to fo .....
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Switchable two-dimensional electron gas based on ferroelectric Ca:SrTiO 3
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Julien Bréhin, Felix Trier, Luis M Vicente-Arche, Pierre Hemme, Paul Noël, Maxen Cosset-Cheneau, Jean-Philippe Attané, Laurent Vila, Anke Sander, Yann Gallais, Alain Sacuto, Brahim Dkhil, Vincent Garcia, Stéphane Fusil, Agnès Barthelemy, Maximilien Cazayous, Manuel Bibes
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Physical Review Materials, 2020, 4, pp.041002. ⟨10.1103/PhysRevMaterials.4.041002⟩
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Two-dimensional electron gases (2DEGs) can form at the surface of oxides and semiconductors or in ca .....
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Linear Versus Nonlinear Electro-Optic Effects in Materials
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Zhijun Jiang, Charles Paillard, Hongjun Xiang, L. Bellaiche
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Physical Review Letters, 2020, 125 (1), pp.017401. ⟨10.1103/PhysRevLett.125.017401⟩
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Two schemes are proposed to compute the nonlinear electro-optic (EO) tensor for the first time. In t .....
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Universality and origin of ultrashort intrinsic negative dielectric permittivity
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Sergey Prosandeev, Charles Paillard, B. Xu, L. Bellaiche
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2020, 101, ⟨10.1103/PhysRevB.101.024111⟩
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By recasting the definition of the dielectric constants in terms of currents, as well as using atomi .....
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Predicting short-range order and correlated phenomena in disordered crystalline materials
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Eric C O'Quinn, Kurt E. Sickafus, Rodney Ewing, Gianguido Baldinozzi, Joerg C Neuefeind, Matthew G Tucker, Antonio Fuentes, Devon Drey, Maik Lang
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Science Advances , 2020, 6, ⟨10.1126/sciadv.abc2758⟩
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Disordered crystalline materials are used in a wide variety of energy-related technologies. Recent r .....
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Evidence for Goldstone-like and Higgs-like structural modes in the model $\mathrm{Pb}{\mathrm{Mg}}_{1/3}{\mathrm{Nb}}_{2/3}{\mathrm{O}}_{3}$ relaxor ferroelectric
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Sergey Prosandeev, Sergei Prokhorenko, Yousra Nahas, A. Al-Barakaty, L. Bellaiche, Pascale Gemeiner, Dawei Wang, Alexei A. Bokov, Zuo-Guang Ye, Brahim Dkhil
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Physical Review B, 2020, 102 (10), pp.104110. ⟨10.1103/PhysRevB.102.104110⟩
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Effective Hamiltonian simulations are conducted to unveil the nature of the low-frequency polar mode .....
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2019

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Direct Epitaxial Growth of Polar (1 – x )HfO 2 –( x )ZrO 2 Ultrathin Films on Silicon
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Pavan Nukala, Jordi Antoja-Lleonart, Yingfen Wei, Lluis Yedra, Brahim Dkhil, Beatriz Noheda
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ACS Applied Electronic Materials, 2019, 1 (12), pp.2585-2593. ⟨10.1021/acsaelm.9b00585⟩
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Ultrathin Hf1-x Zr x O2 films have attracted tremendous interest since they show ferroelectric behav .....
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Cross sections for vibronic excitation of CH + by low-energy electron impact
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Xianwu Jiang, Chi Hong Yuen, Pietro Cortona, Mehdi Ayouz, Viatcheslav Kokoouline
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Physical Review A, 2019, 100 (6), ⟨10.1103/PhysRevA.100.062711⟩
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Rashba-like spin-orbit and strain effects in tetragonal PbTiO 3
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R. Arras, J. Gosteau, H. Zhao, C. Paillard, Y. Yang, L. Bellaiche
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Physical Review B, 2019, 100 (17), pp.174415. ⟨10.1103/PhysRevB.100.174415⟩
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We performed first-principles calculations of the spin-orbit effect appearing in the electronic stru .....
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Crystalline growth under electric field: Toward a new route to design domain modulated-structures. Case of CaTiO3
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M. Pellen, R. Saint-Martin, R. Haumont
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Journal of Crystal Growth, 2019, 525, pp.125190 -. ⟨10.1016/j.jcrysgro.2019.125190⟩
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The effect of lattice disorder on the low-temperature heat capacity of (U1−yThy)O2 and 238Pu-doped UO2
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Sorin-Octavian Vălu, Emanuele de Bona, Karin Popa, Jean-Christophe Griveau, Eric Colineau, Rudy Konings
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Scientific Reports, 2019, 9 (1), pp.15082. ⟨10.1038/s41598-019-51476-3⟩
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The low-temperature heat capacity of (U 1− y Th y )O 2 and 238 Pu-doped UO 2 samples were determin .....
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Transport properties of Ce-doped nickel oxide and relevance on the thermal growth of oxide scales on CeO2-coated nickel
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N. Mahiouz, Z. Halem, N. Halem, G. Petot-Ervas
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Solid State Ionics, 2019, 339, pp.114943. ⟨10.1016/j.ssi.2019.04.006⟩
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The growth of oxide scales on Ce02-coated Ni polycrystals, in the temperature range 800–1200 °C .....
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titre
Identification of oxygen diffusion mechanisms in Nd 1−x AE x BaInO 4−x/2 (AE = Ca, Sr, Ba) compounds through molecular dynamics
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Chenyi Li, Hichem Dammak, Guilhem Dezanneau
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Physical Chemistry Chemical Physics, 2019, 21 (38), pp.21506-21516. ⟨10.1039/c9cp03048d⟩
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Theoretical study of electron-induced vibrational excitation of NO 2
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Hainan Liu, Samantha Fonseca Dos Santos, Chi Hong Yuen, Pietro Cortona, Viatcheslav Kokoouline, Mehdi Ayouz
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Plasma Sources Science and Technology, 2019, 28 (10), pp.105017. ⟨10.1088/1361-6595/ab4b8a⟩
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On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulation
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Riccardo Spezia, Hichem Dammak
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Journal of Physical Chemistry A, 2019, 123 (40), pp.8542-8551. ⟨10.1021/acs.jpca.9b06795⟩
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Cation disorder in Sr0.67Ba0.33Nb2O6 assessed by aberration corrected stem
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L. López-Conesa, J.M. Rebled, A. Ruiz-Caridad, A. Torres-Pardo, M.L. Ruiz-González, J.M. González-Calbet, Guilhem Dezanneau, S. Estradé, F. Peiró
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Results in Materials, 2019, 3, pp.100038. ⟨10.1016/j.rinma.2019.100038⟩
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The microstructure and composition of a single crystal of the relaxor Sr0.67Ba0.33Nb2O6 have been as .....
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Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays
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Nada B Bošnjaković-Pavlović, Xiao Xu, Danijela Krstić, Jean-Michel Gillet, Yongge B Wei, Pingfan M Wu, Mirjana M Čolović, Anne M Spasojević-de Biré
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Journal of Inorganic Biochemistry, 2019, 198, pp.110720. ⟨10.1016/j.jinorgbio.2019.110720⟩
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Photo-induced phase transitions in ferroelectrics
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Charles Paillard, Engin Torun, Ludger Wirtz, Laurent Bellaïche
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Physical Review Letters, 2019, 123, pp.087601. ⟨10.1103/PhysRevLett.123.087601⟩
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Ferroic materials naturally exhibit a rich number of functionalities, which often arise from thermal .....
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Crystal Growth Mechanisms of BiFeO 3 Nanoparticles
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Xiaofei Bai, Matthieu Bugnet, Carlos Frontera, Pascale Gemeiner, Jérôme Guillot, Damien Lenoble, Infante Ingrid C.
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Inorganic Chemistry, 2019, 58 (17), pp.11364-11371. ⟨10.1021/acs.inorgchem.9b00461⟩
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Phase Separation in Fluorite-Related U 1– y Ce y O 2– x : A Re-Examination by X-ray and Neutron Diffraction
auteur
David Simeone, Philippe Garcia, Audrey Miard, Gianguido Baldinozzi, Florence Porcher, Jean-François Bérar
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Inorganic Chemistry, 2019, 58 (17), pp.11599-11605. ⟨10.1021/acs.inorgchem.9b01469⟩
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Designing Multifunctionality via Assembling Dissimilar Materials: Epitaxial AlN/ScN Superlattices
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Zhijun Jiang, Charles Paillard, David Vanderbilt, Hongjun Xiang, L. Bellaiche
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Physical Review Letters, 2019, 123 (9), pp.096801. ⟨10.1103/PhysRevLett.123.096801⟩
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FORTE – a multipurpose high-vacuum diffractometer for tender X-ray diffraction and spectroscopy at the SIRIUS beamline of Synchrotron SOLEIL
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G. Ciatto, N. Aubert, M. Lecroard, C. Engblom, P. Fontaine, M. Dubuisson, M. Abiven, P.-E. Janolin, M. Kiat, Y. Dumont, B. Berini, A. Fouchet, N. Keller
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Journal of Synchrotron Radiation, 2019, 26 (4), pp.1374-1387. ⟨10.1107/S1600577519003722⟩
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A new high-vacuum multipurpose diffractometer (called FORTE from the French acronyms of the project) .....
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Towards Oxide Electronics: a Roadmap
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M. Coll, J. Fontcuberta, M. Althammer, M. Bibes, H. Boschker, A. Calleja, G. Cheng, M. Cuoco, R. Dittmann, B. Dkhil, I. El Baggari, M. Fanciulli, I. Fina, E. Fortunato, C. Frontera, S. Fujita, V. Garcia, B. Goennenwein, G. Granqvist, J. Grollier, R. Gross, A. Hagfeldt, G. Herranz, K. Hono, E. Houwman, M. Huijben, A. Kalaboukhov, J. Keeble, G. Koster, L.F. Kourkoutis, J. Levy, M. Lira-Cantú, J. Macmanus-Driscoll, Jochen Mannhart, R. Martins, S. Menzel, T. Mikolajick, M. Napari, M. Nguyen, G. Niklasson, C. Paillard, S. Panigrahi, G. Rijnders, F. Sánchez, P. Sanchis, S. Sanna, G. Schlom, U. Schroeder, M. Shen, A. Siemon, M. Spreitzer, H. Sukegawa, R. Tamayo, J. van den Brink, N. Pryds, F. Granozio
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Applied Surface Science, 2019, 482, pp.1-93. ⟨10.1016/j.apsusc.2019.03.312⟩
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Spin resolved electron density study of YTiO 3 in its ferromagnetic phase: signature of orbital ordering
auteur
Ariste Bolivard Voufack, Iurii Kibalin, Zeyin Yan, Nicolas Claiser, Saber Gueddida, Béatrice Gillon, Florence Porcher, Arsen Gukasov, Kunishisa Sugimoto, Claude Lecomte, Slimane Dahaoui, Jean-Michel Gillet, Mohamed Souhassou
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International Union of Crystallography journal, 2019, pp.884-894. ⟨10.1107/S2052252519009230⟩
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The present work reports on the charge and spin density modelling of YTiO 3 in its ferromagnetic sta .....
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Huge impact of compressive strain on phase transition temperatures in epitaxial ferroelectric K x Na 1−x NbO 3 thin films
auteur
L. von Helden, L. Bogula, P.-E. Janolin, M. Hanke, T. Breuer, M. Schmidbauer, S. Ganschow, J. Schwarzkopf
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Applied Physics Letters, 2019, 114 (23), pp.232905. ⟨10.1063/1.5094405⟩
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We present a study in which ferroelectric phase transition temperatures in epitaxial KxNa1−xNbO3 f .....
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Nanoscale Lipophilic Prodrugs of Dexamethasone with Enhanced Pharmacokinetics
auteur
Mathilde Lorscheider, Nicolas Tsapis, Rosana Simón-Vázquez, Nicolas Guiblin, Noureddine Ghermani, Franceline Reynaud, Romain Canioni, Sonia Abreu, Pierre Chaminade, Elias Fattal
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Molecular Pharmaceutics, 2019, 16 (7), pp.2999-3010. ⟨10.1021/acs.molpharmaceut.9b00237⟩
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⊥ Lip(Sys) 2 EA7357 Lipides, Systemes analytiques et biologiques, Univ. Paris-Sud, Univ. Paris-Sac .....
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Substituted effect of Al3+ on structural, optical, magnetic and photocatalytic activity of Ni ferrites
auteur
A. Lassoued, M.S. Lassoued, Brahim Dkhil, S. Ammar, A. Gadri
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Journal of Magnetism and Magnetic Materials, 2019, 476, pp.124-133. ⟨10.1016/j.jmmm.2018.12.062⟩
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Magnetoelastic and magnetoelectric couplings across the antiferromagnetic transition in multiferroic BiFeO 3
auteur
Mariusz Lejman, Charles Paillard, Vincent Juvé, Gwenäelle G. Vaudel, Nicolas Guiblin, Laurent Bellaiche, Michel Viret, Vitali Goussev, Brahim Dkhil, Pascal Ruello
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2019, 99 (10), ⟨10.1103/PhysRevB.99.104103⟩
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Clear anomalies in the lattice thermal expansion (deviation from linear variation) and elastic prope .....
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Switching on superferromagnetism
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A. Arora, L. C. Phillips, P. Nukala, M. Ben Hassine, A. Ünal, B. Dkhil, Ll. Balcells, O. Iglesias, A. Barthelemy, F. Kronast, Manuel Bibes, S. Valencia
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Physical Review Materials, 2019, 3 (2), ⟨10.1103/PhysRevMaterials.3.024403⟩
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Recent results in electric field control of magnetism have paved the way for the design of new magne .....
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titre
Isotope effect on hydrogen bond symmetrization in hydrogen and deuterium fluoride crystals by molecular dynamics simulation
auteur
Hichem Dammak, Fabien Brieuc, Grégory Geneste, Marc Torrent, Marc Hayoun
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Physical Chemistry Chemical Physics, 2019, 21 (6), pp.3211-3217. ⟨10.1039/c8cp06949b⟩
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The isotope effect on the collective proton/deuteron transfer in hydrogen and deuterium fluoride cry .....
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Polarons, vacancies, vacancy associations, and defect states in multiferroic BiFeO 3
auteur
Grégory Geneste, Charles Paillard, Brahim Dkhil
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2019, 99 (2), ⟨10.1103/physrevb.99.024104⟩
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A Robust Artificial Synapse Based on Organic Ferroelectric Polymer
auteur
Bobo Tian, Lan Liu, Mengge Yan, Jianlu Wang, Qingbiao Zhao, Ni Zhong, Pinghua Xiang, Lin Sun, Hui Peng, Hong Shen, Tie Lin, Brahim Dkhil, Xiangjian Meng, Junhao Chu, Xiaodong Tang, Chungang Duan
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Advanced Electronic Materials, 2019, 5 (1), ⟨10.1002/aelm.201800600⟩
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Memristors with history‐dependent resistance are considered as artificial synapses and have potent .....
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Novel Dynamical Magnetoelectric Effects in Multiferroic BiFeO 3
auteur
S. Omid Sayedaghaee, Bin Xu, Sergey Prosandeev, Charles Paillard, L. Bellaiche
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Physical Review Letters, 2019, 122 (9), pp.097601. ⟨10.1103/PhysRevLett.122.097601⟩
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An atomistic effective Hamiltonian scheme is employed within Molecular Dynamics simulations to inves .....
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Clusters of Oxygen Interstitials in UO$_{2+x}$ and $\alpha$-U$_4$O$_9$: Structure and Arrangements
auteur
Aurélien Soulié, Gianguido Baldinozzi, Frédérico Garrido, Jean-Paul Crocombette
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Inorganic Chemistry, 2019, 58 (19), pp.12678-12688. ⟨10.1021/acs.inorgchem.9b01483⟩
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We use the Second Moment Tight Binding with charge eQuilibration (SMTB-Q) advanced empirical potenti .....
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titre
Synthesis of nanostructured ThO 2 pellets
auteur
Emanuele de Bona, Olaf Walter, Heike Störmer, Thierry Wiss, Gianguido Baldinozzi, Marco Cologna, Karin Popa
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Journal of the American Ceramic Society, 2019, 102 (7), pp.3814-3818. ⟨10.1111/jace.16375⟩
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We present here for the first time the production of 3- to 5-nm–sized thoria nanopowders by decomp .....
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titre
A magnetic phase diagram for nanoscale epitaxial BiFeO3 films
auteur
D. Sando, Florian Appert, Bin Xu, O. H C Paull, S. R Burns, C. Carretero, B. Dupé, V. Garcia, Y. Gallais, A. Sacuto, M. Cazayous, B. Dkhil, J. Le Breton, A. Barthelemy, M. Bibes, L. Bellaiche, V. Nagarajan, Jean Juraszek
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Applied Physics Reviews, 2019, 6 (4), pp.041404. ⟨10.1063/1.5113530⟩
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BiFeO3 thin films have attracted considerable attention by virtue of their potential application in .....
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2018

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titre
Thermo-Elasticity of Materials from Quasi-Harmonic Calculations
auteur
Maurizio Destefanis, Corentin Ravoux, Alessandro Cossard, Alessandro Erba
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Minerals, 2018, 9 (1), pp.16. ⟨10.3390/min9010016⟩
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An effective algorithm for the quasi-harmonic calculation of thermo-elastic stiffness constants of m .....
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titre
Crystal and Electron Properties of Carbamazepine–Aspirin Co-crystal
auteur
Béatrice Nicolaï, Bertrand Fournier, Slimane Dahaoui, Jean-Michel Gillet, Nour-Eddine Eddine Ghermani
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Crystal Growth & Design, 2018, 19 (2), pp.1308-1321. ⟨10.1021/acs.cgd.8b01698⟩
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Nuclear quantum effects in molecular dynamics simulations
auteur
H. Dammak, M. Hayoun, F Brieuc, G. Geneste
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Journal of Physics: Conference Series, 2018, 1136, pp.012014. ⟨10.1088/1742-6596/1136/1/012014⟩
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To take into account nuclear quantum effects on the dynamics of atoms, the path integral molecular d .....
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Surface Proximity Effect, Imprint Memory of Ferroelectric Twins, and Tweed in the Paraelectric Phase of BaTiO$_3$
auteur
C. Mathieu, C. Lubin, G. Le Doueff, M. Cattelan, P. Gemeiner, B. Dkhil, E. Salje, N. Barrett
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Scientific Reports, 2018, 8, pp.13660. ⟨10.1038/s41598-018-31930-4⟩
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We have used energy-filtered photoemission electron microscopy (PEEM) at the photoemission threshold .....
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A rhombohedral ferroelectric phase in epitaxially strained Hf0.5Zr0.5O2 thin films
auteur
Yingfen Wei, Pavan Nukala, Mart Salverda, Sylvia Matzen, Hong Jian Zhao, Jamo Momand, Arnoud S Everhardt, Guillaume Agnus, Graeme R Blake, Philippe Lecoeur, Bart J Kooi, Jorgé Iñiguez, Brahim Dkhil, Beatriz Noheda
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Nature Materials, 2018, 17 (12), pp.1095-1100. ⟨10.1038/s41563-018-0196-0⟩
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After decades of searching for robust nanoscale ferroelectricity that could enable integration into .....
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Epitaxial ferroelectric oxide thin films for optical applications
auteur
D. Sando, Yurong Yang, Charles Paillard, B. Dkhil, L. Bellaiche, V. Nagarajan
article
Applied Physics Reviews, 2018, 5 (4), pp.041108. ⟨10.1063/1.5046559⟩
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Bare and Sterically Stabilized PLGA Nanoparticles for the Stabilization of Pickering Emulsions
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Claire Albert, Nicolas Huang, Nicolas Tsapis, Sandrine Geiger, Véronique Rosilio, Ghozlene Mekhloufi, David Chapron, Baptiste Robin, Mohamed Beladjine, Valérie Nicolas, Elias Fattal, Florence Agnely
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Langmuir, 2018, 34 (46), pp.13935-13945. ⟨10.1021/acs.langmuir.8b02558⟩
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Pickering emulsions were formulated using biodegradable and biocompatible poly(lactic-co-glycolic ac .....
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Grain size effects on irradiated CeO2, ThO2, and UO2
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William Cureton, Raul Palomares, Jeffrey Walters, Cameron Tracy, Chien-Hung Chen, Rodney Ewing, Gianguido Baldinozzi, Jie Lian, Christina Trautmann, Maik Lang
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Acta Materialia, 2018, 160, pp.47 - 56. ⟨10.1016/j.actamat.2018.08.040⟩
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Structural and optical investigation of (V, Al) doped and co-doped ZnO nanopowders: Tailored visible luminescence for white light emitting diodes
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T. Elkar, N. Mzabi, M. Ben Hassine, P. Gemeiner, B. Dkhil, S. Ghermazi, H. Guermazi
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Superlattices and Microstructures, 2018, 122, pp.349-361. ⟨10.1016/j.spmi.2018.07.015⟩
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This paper deals with co-precipitation synthesis and characterization of undoped, Al, V doped, and ( .....
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Highly Reactive TiO 2 Anatase Single Crystal Domains Grown by Atomic Layer Deposition
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Olga Ishchenko, Guillaume Lamblin, Didier Arl, Noureddine Adjeroud, Jérôme Guillot, Patrick Grysan, Pavan Nukala, Julien Guyon, Ioana Fechete, François Garin, Philippe Turek, Damien Lenoble
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Crystal Growth & Design, 2018, 18 (9), pp.4929-4936. ⟨10.1021/acs.cgd.8b00170⟩
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The Polar/Antipolar Phase Boundary of BiMnO3-BiFeO3-PbTiO3 Interplay among Crystal Structure, Point Defects, and Multiferroism
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Carmen M. Fernandez-Posada, Alicia Castro, Jean-Michel Kiat, Florence Porcher, Octavio Peña, Ricardo Jimenez, Miguel Alguero, Harvey Amorin
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Advanced Functional Materials, 2018, 28 (35), pp.1802338. ⟨10.1002/adfm.201802338⟩
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The ferromagnetic perovskite oxide BiMnO3 is a highly topical material, and the solid solutions it f .....
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Improved photocatalytic activities of Cu x Co 0.5-x Ni 0.5 Fe 2 O 4 nanoparticles through co-precipitation method in degrading methylene blue
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Abdelmajid Lassoued, Mohamed Saber Lassoued, Brahim Dkhil, Salah Ammar, Abdellatif Gadri
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Physica E: Low-dimensional Systems and Nanostructures, 2018, 101, pp.29 - 37. ⟨10.1016/j.physe.2018.03.015⟩
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We report the synthesis of CuxCo0.5-xNi0.5Fe2O4 with x = (0.1, 0.2, 0.3, 0.4) nanoparticles usin .....
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Impact of nuclear transmutations on the primary damage production: The example of Ni based steels
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Laurence Lunéville, Jean Christphe Sublet, David Simeone
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Journal of Nuclear Materials, 2018, 505, pp.262 - 266. ⟨10.1016/j.jnucmat.2017.06.039⟩
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The recent nuclear evaluations describe more accurately the elastic and inelastic neutron-atoms inte .....
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Synthesis, photoluminescence and Magnetic properties of iron oxide (α-Fe 2 O 3 ) nanoparticles through precipitation or hydrothermal methods
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Abdelmajid Lassoued, Mohamed Saber Lassoued, Brahim Dkhil, Salah Ammar, Abdellatif Gadri
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Physica E: Low-dimensional Systems and Nanostructures, 2018, 101, pp.212 - 219. ⟨10.1016/j.physe.2018.04.009⟩
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Direct Evidence of Lithium Ion Migration in Resistive Switching of Lithium Cobalt Oxide Nanobatteries
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van Son Nguyen, van Huy Mai, Pascale Auban-Senzier, Claude R. Pasquier, Kang Wang, Marcelo J. Rozenberg, Nathalie Brun, Katia March, François Jomard, John Giapintzakis, Cristian Mihailescu, Evripides Kyriakides, Pavan Nukala, Thomas Maroutian, Guillaume Agnus, Philippe Lecoeur, Silvia Matzen, Pascal Aubert, Sylvain Franger, Raphaël Salot, Pierre-Antoine Albouy, David Alamarguy, Brahim Dkhil, Pascal Chrétien, Olivier Schneegans
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Small, 2018, 14 (24), pp.1801038. ⟨10.1002/smll.201801038⟩
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Lithium cobalt oxide nanobatteries offer exciting prospects in the field of nonvolatile memories and .....
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Characterization of Oxygen Defect Clusters in UO2+x Using Neutron Scattering and PDF Analysis
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Y. Ma, Ph. Garcia, J. Lechelle, A. Miard, L. Desgranges, G. Baldinozzi, D. Simeone, H.E. Fisher
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Inorganic Chemistry, 2018, 57 (12), pp.7064-7076. ⟨10.1021/acs.inorgchem.8b00750⟩
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PDF data obtained at 900°C for UO2, UO2.007, and UO2.16. Full spheres: Modeling results suggest a g .....
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Enhanced UV emission of TiO 2 –ZnO nanocomposite films synthesized by simplified sol–gel dip-coating method
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Xianwu Jiang, Hainan Liu, Huinan Sun, Libing Duan, Xiaoru Zhao
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Optical Materials Express, 2018, 8 (3), pp.288-293. ⟨10.1166/mex.2018.1431⟩
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TiO2–ZnO composite film was regarded as a promising candidate for UV emitter devices. For explorin .....
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Spin localization, magnetic ordering, and electronic properties of strongly correlated Ln 2 O 3 sesquioxides (Ln=La, Ce, Pr, Nd)
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Kh. El-Kelany, C. Ravoux, J. Desmarais, P. Cortona, Y. Pan, J. Tse, A. Erba
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 97 (24), ⟨10.1103/PhysRevB.97.245118⟩
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Lanthanide sesquioxides are strongly correlated materials characterized by highly localized unpaired .....
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Photocatalytic degradation of methylene blue dye by iron oxide (α-Fe2O3) nanoparticles under visible irradiation
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Abdelmajid Lassoued, Mohamed Saber Lassoued, Brahim Dkhil, Salah Ammar, Abdellatif Gadri
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Journal of Materials Science: Materials in Electronics, 2018, 29 (10), pp.8142 - 8152. ⟨10.1007/s10854-018-8819-4⟩
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Iron oxide (α-Fe2O3) nanoparticles were precipitated from iron (III) chloride hexahydrate (FeCl3·6 .....
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Nanocrystalline NixCo(0.5−x)Zn0.5Fe2O4 ferrites: fabrication through co-precipitation route with enhanced structural, magnetic and photo-catalytic activity
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Abdelmajid Lassoued, Mohamed Saber Lassoued, Brahim Dkhil, Salah Ammar, Abdellatif Gadri
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Journal of Materials Science: Materials in Electronics, 2018, 29 (9), pp.7333 - 7344. ⟨10.1007/s10854-018-8723-y⟩
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A series of Ni-substituted NixCo(0.5−x)Zn0.5Fe2O4 with x = (0.1, 0.2, 0.3, 0.4) spinel ferrites we .....
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Photocatalytic degradation of methyl orange dye by NiFe2O4 nanoparticles under visible irradiation: effect of varying the synthesis temperature
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Abdelmajid Lassoued, Mohamed Saber Lassoued, Brahim Dkhil, Salah Ammar, Abdellatif Gadri
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Journal of Materials Science: Materials in Electronics, 2018, 29 (9), pp.7057 - 7067. ⟨10.1007/s10854-018-8693-0⟩
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Nanoparticles of nickel ferrites (NiFe2O4) were synthesized at different temperature of synthesis (2 .....
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A method to estimate statistical errors of properties derived from charge-density modelling
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Bertrand Fournier, Benoît Guillot, Claude Lecomte, Eduardo Escudero-Adán, Christian Jelsch
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Acta Crystallographica Section A : Foundations and Advances [2014-..], 2018, 74 (3), pp.170 - 183. ⟨10.1107/S2053273318004308⟩
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Electrostrain in excess of 1% in polycrystalline piezoelectrics
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Bastola Narayan, Jaskaran Singh Malhotra, Rishikesh Pandey, Krishna Yaddanapudi, Pavan Nukala, Brahim Dkhil, Anatoliy Senyshyn, Rajeev Ranjan
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Nature Materials, 2018, 17 (5), pp.427 - 431. ⟨10.1038/s41563-018-0060-2⟩
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Piezoelectric actuators transform electrical energy into mechanical energy, and because of their com .....
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Synthesis and characterization of Ni-doped α-Fe2O3 nanoparticles through co-precipitation method with enhanced photocatalytic activities
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Abdelmajid Lassoued, Mohamed Saber Lassoued, Santiago García-Granda, Brahim Dkhil, Salah Ammar, Abdellatif Gadri
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Journal of Materials Science: Materials in Electronics, 2018, 29 (7), pp.5726 - 5737. ⟨10.1007/s10854-018-8543-0⟩
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In the present study, an attempt has been made for synthesis, characterization and photocatalytic ap .....
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Investigation of physical properties of diphenylalanine peptide nanotubes having different chiralities and embedded water molecules
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V. Bystrov, A. Kopyl, P. Zelenovskiy, A. Zhulyabina, A. Tverdislov, F. Salehli, N. Ghermani, V. Ya. Shur, A. Kholkin
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Ferroelectrics, 2018, 525 (1), pp.168 - 177. ⟨10.1080/00150193.2018.1432832⟩
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Molecular modeling of diphenylalanine peptide nanotubes (FF PNT) is performed using PM3 method in Hy .....
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Development of a joint refinement model for the spin-resolved one-electron reduced density matrix using different data sets
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Saber Gueddida, Zeyin Yan, Jean-Michel Gillet
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Acta Crystallographica Section A : Foundations and Advances [2014-..], 2018, 74 (2), pp.131 - 142. ⟨10.1107/S2053273318000384⟩
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The paper describes a joint refinement model of the spin-resolved one-electron reduced density matri .....
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Synthesis, structural, morphological, optical and magnetic characterization of iron oxide (α-Fe 2 O 3 ) nanoparticles by precipitation method: Effect of varying the nature of precursor
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Abdelmajid Lassoued, Mohamed Saber Lassoued, Brahim Dkhil, Salah Ammar, Abdellatif Gadri
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Physica E: Low-dimensional Systems and Nanostructures, 2018, 97, pp.328 - 334. ⟨10.1016/J.physe.2017.12.004⟩
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α-Fe2O3 nanoparticles were prepared via a precipitation method using each of three different precur .....
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Solid-State Testing of a Van-Der-Waals-Corrected Exchange-Correlation Functional Based on the Semiclassical Atom Theory
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Aleksandr V Terentjev, Pietro Cortona, Lucian A Constantin, José M M.Pitarke, Fabio Della Sala, Eduardo Fabiano
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Computation, 2018, 6, ⟨10.3390/computation6010007⟩
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We extend the SG4 generalized gradient approximation, developed for covalent and ionic solids with a .....
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Quantum Crystallography: Current Developments and Future Perspectives
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Alessandro Genoni, Lukas Bucinsky, Nicolas Claiser, Julia Contreras-García, Birger Dittrich, Paulina Dominiak, Enrique Espinosa, Carlo Gatti, Paolo Giannozzi, Jean-Michel Gillet, Dylan Jayatilaka, Piero Macchi, Anders Ø. Madsen, Louis Massa, Cherif Matta, Kenneth Merz, Philip Nakashima, Holger Ott, Ulf Ryde, Karlheinz Schwarz, Marek Sierka, Simon Grabowsky
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Chemistry - A European Journal, 2018, 24 (43), pp.10881-10905. ⟨10.1002/chem.201705952⟩
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Crystallography and quantum mechanics have always been tightly connected because reliable quantum me .....
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Continuum approaches for modeling radiation-induced self-organization in materials: From the rate theory to the phase field approach
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David Simeone, Joël Ribis, Laurence Lunéville
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Journal of Materials Research, 2018, 33, pp.440 - 454. ⟨10.1557/jmr.2018.9⟩
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Microstructural patterns resulting from self-organization are responsible for phase transitions and .....
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Understanding Local Structure versus Long-Range Structure: The Case of UO 2
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Lionel Desgranges, Yue Ma, Philippe Garcia, Gianguido Baldinozzi, David Siméone, Henry Fischer
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Chemistry - A European Journal, 2018, 24 (9), pp.2085 - 2088. ⟨10.1002/chem.201705674⟩
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Effect of Pressure on Cesium Iodide Band Gap
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Cedillo Andrés, Pietro Cortona
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Acta Phys. -Chim. Sin, 2018, 2018, pp.208 - 212. ⟨10.3866/PKU.WHXB201707031⟩
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The evolution of cesium iodide band gap as a function of pressure is studied in the range from 0 to .....
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Large magnetoelectric response and its origin in bulk Co-doped BiFeO 3 synthesized by a stirred hydrothermal process
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Arij Marzouki, Hassen Harzali, Vincent Loyau, Pascale Gemeiner, Karim Zehani, Brahim Dkhil, Lotfi Bessais, Adel Megriche
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Acta Materialia, 2018, 145, pp.316 - 321. ⟨10.1016/J.actamat.2017.11.055⟩
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In this work, we study the effect of Co-doping on the magnetoelectric (ME) response of multiferroic .....
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Kron–Branin modelling of ultra-short pulsed signal microelectrode
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Zhifei Xu, Blaise Elysée Guy Ravelo, Yang Liu, Lu Zhao, Fabien Delaroche, François Vurpillot
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European Physical Journal: Applied Physics, 2018, 81 (2), pp.21001. ⟨10.1051/epjap/2018170383⟩
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Activation of B1 silent Raman modes and its potential origin as source for phonon-assisted replicas in photoluminescence response in N-doped ZnO nanowires
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H. Souissi, S. Jabri, A. Souissi, G. Amiri, P. Gemeiner, A. Lusson, P. Galtier, B. Dkhil, V. Sallet, M. Oueslati, A. Meftah
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Journal of Applied Physics, 2018, 123 (2), ⟨10.1063/1.5011142⟩
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ZnO nanowires are grown by metal organic chemical vapor deposition using two different zinc precurso .....
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Quantum-fluctuation-stabilized orthorhombic ferroelectric ground state in lead-free piezoelectric (Ba,Ca)(Zr,Ti )O3
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Alireza Akbarzadeh, Brajesh Kumar, Yousra Nahas, Naveen Kumar, Sergei Prokhorenko, Diptikanta Swain, Sergey Prosandeev, Raymond Walter, Igor A. Kornev, Jorgé Iñiguez, Brahim Dkhil, Rajeev Ranjan, L. Bellaiche
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 98 (10), pp.104101. ⟨10.1103/PhysRevB.98.104101⟩
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We numerically investigate the phase diagram of the giant-piezoelectric (1−x)Ba(Zr0.2Ti0.8)O3−x( .....
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Irradiation-based design of mechanically resistant microstructures tuned viamultiscale phase-field modeling
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Gilles Demange, S. Depinoy, L. Luneville, D. Simeone, V. Pontikis
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Scientific Reports, 2018, 8 (1), pp.10237. ⟨10.1038/s41598-018-28685-3⟩
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We present a multi-scale phase field modeling of stationary microstructures produced under 1MeV kryp .....
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Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO 3 using magnetic structure factors and magnetic Compton profiles data
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Saber Gueddida, Zeyin Yan, Iurii Kibalin, Ariste Bolivard Voufack, Nicolas Claiser, Mohamed Souhassou, Claude Lecomte, Béatrice Gillon, Jean-Michel Gillet
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Journal of Chemical Physics, 2018, 148 (16), pp.164106. ⟨10.1063/1.5022770⟩
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In this paper, we propose a simple cluster model with limited basis sets to reproduce the unpaired e .....
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Depth Profiling of Strain in Textured Tungsten Films
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Gianguido Baldinozzi, Philippe Lecoeur, Vassilis Pontikis
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MRS Advances, 2018, 3 (8-9), pp.411 - 417. ⟨10.1557/adv.2018.34⟩
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Evidence of magnetoelectric coupling in 0.9BiFeO 3 -0.1Ba[Ti 0.95 (Yb 0.5 Nb 0.5 ) 0.05 ]O 3 ceramic
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A. Amouri, S. Aydi, N. Abdelmoula, H. Dammak, H. Khemakhem
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Journal of Alloys and Compounds, 2018, 739, pp.1065-1079. ⟨10.1016/j.jallcom.2017.12.101⟩
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The physical properties of the Multiferroïc lead-free 0.9BiFeO 3-0.1Ba[Ti 0.95 (Yb 0.5 Nb 0.5) 0.05 .....
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Particle Filtering for Prognostics of a Newly Designed Product With a New Parameters Initialization Strategy Based on Reliability Test Data
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Jie Liu, Enrico Zio, Yang Hu
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IEEE Access, 2018, 6, pp.62564-62573. ⟨10.1109/access.2018.2876457⟩
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In particle filtering-based prognostic methods, state and observation equations are used in which on .....
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Ultrafast electron dynamics and orbital-dependent thermalization in photoexcited metals
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E. Silaeva, Emile Bévillon, R. Stoian, Jean-Philippe Colombier
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 98 (9), pp.094306. ⟨10.1103/physrevb.98.094306⟩
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We use a time-dependent density functional theory (TDDFT) to analyze nonequilibrium dynamics of lase .....
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A model of defect cluster creation in fragmented cascades in metals based on morphological analysis
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A. de Backer, C. Domain, C. S. Becquart, L. Luneville, D. Simeone, A. E. Sand, K. Nordlund
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Journal of Physics: Condensed Matter, 2018, 30 (40), ⟨10.1088/1361-648X/aadb4e⟩
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The impacts of ions and neutrons in metals cause cascades of atomic collisions that expand and shrin .....
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Nonequilibrium optical properties of transition metals upon ultrafast electron heating
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Emile Bévillon, R. Stoian, Jean-Philippe Colombier
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Journal of Physics: Condensed Matter, 2018, 30 (38), pp.385401. ⟨10.1088/1361-648x/aad8e5⟩
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Femtosecond laser excitation of metals triggers swift modifications of the electronic distribution w .....
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Interstitial nitrogen atoms in diamond. A quantum mechanical investigation of its electronic and vibrational properties
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Simone Salustro, Fabien Pascale, William Mackrodt, Corentin Ravoux, Alessandro Erba, Roberto Dovesi
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Physical Chemistry Chemical Physics, 2018, 20 (24), pp.16615-16624. ⟨10.1039/C8CP02484G⟩
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The electronic and vibrational features of the single- (I1N) and double- (I2N) nitrogen interstitial .....
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Generalization of the Fourier-spectral Eyre scheme for the phase-field equations: Application to self-assembly dynamics in materials
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Gilles Demange, M. Chamaillard, Helena Zapolsky, M. Lavrskyi, Antoine Vaugeois, L. Lunéville, D. Simeone, Renaud Patte
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Computational Materials Science, 2017, 144, pp.11-22. ⟨10.1016/j.commatsci.2017.11.044⟩
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Vacancies and holes in bulk and at 180° domain walls in lead titanate
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Charles Paillard, Grégory Geneste, Laurent Bellaiche, Brahim Dkhil
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Journal of Physics: Condensed Matter, 2017, 29, pp.485707. ⟨10.1088/1361-648X/aa9419⟩
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Domain walls (DWs) in ferroic materials exhibit a plethora of unexpected properties that are differe .....
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Reinvestigation of the paracetamol-caffeine, aspirin-caffeine, and paracetamol-aspirin phase equilibria diagrams
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Emma Dichi, Mehrez Sghaier, Nicolas Guiblin
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Journal of Thermal Analysis and Calorimetry, 2017, pp.1-15. ⟨10.1007/s10973-017-6855-6⟩
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Many drug candidates are poorly soluble. The formation of solid dispersion can improve their solubil .....
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Synthesis and magnetic characterization of Spinel ferrites MFe2O4 (M = Ni, Co, Zn and Cu) via chemical co-precipitation method
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Abdelmajid Lassoued, Mohamed Ben Hassine, Fabienne Karolak, Brahim Dkhil, Salah Ammar, Abdellatif Gadri
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Journal of Materials Science: Materials in Electronics, 2017, 28 (24), pp.18857 - 18864. ⟨10.1007/s10854-017-7837-y⟩
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Nanostructured ferrite spinels MFe2O4 (M = Ni, Co, Zn and Cu) were successfully synthesized via .....
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Invisible electronics: Metastable Cu-vacancies chain defects for highly conductive p-type transparent oxide
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Petru Lunca Popa, Jonathan Crêpellière, Pavan Nukala, Renaud Leturcq, Damien Lenoble
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Applied Materials Today, 2017, 9, pp.184 - 191. ⟨10.1016/j.apmt.2017.07.004⟩
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Non-stoichiometric copper chromium delafossite has lately attracted a high interest in the community .....
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Nonlinear magnetoelectric effect in paraelectric state of Co4Nb2O9 single crystal
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Yiming Cao, Guochu Deng, Přemysl Beran, Zhenjie Feng, Baojuan Kang, Jincang Zhang, Nicolas Guiblin, Brahim Dkhil, Wei Ren, Shixun Cao
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Scientific Reports, 2017, 7 (1), ⟨10.1038/S41598-017-14169-3⟩
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We report the structural, magnetoelectric (ME), magnetic and electric control of magnetic properties .....
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Structural, optical and morphological characterization of Cu-doped α-Fe 2 O 3 nanoparticles synthesized through co-precipitation technique
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Abdelmajid Lassoued, Mohamed Saber Lassoued, Brahim Dkhil, Abdellatif Gadri, Salah Ammar
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Journal of Molecular Structure, 2017, 1148, pp.276 - 281. ⟨10.1016/j.molstruc.2017.07.051⟩
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Pure and copper (Cu concentration varying from 2 to 8%) doped hematite (α-Fe2O3) nanocrystals were .....
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Direct measurement of electrocaloric effect in lead-free Ba(Sn x Ti 1-x )O 3 ceramics
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Mehmet Sanlialp, Zhengdong Luo, Vladimir Shvartsman, Xianzhu Wei, Yang Liu, Brahim Dkhil, Doru Lupascu
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Applied Physics Letters, 2017, 111 (17), ⟨10.1063/1.5001196⟩
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In this study, we report on investigation of the electrocaloric (EC) effect in lead-free Ba(SnxTi1-x .....
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Structure evolution of mesoporous silica under heavy ion irradiations of intermediate energies
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Yu Lou, Sandrine Dourdain, Cyrielle Rey, Yves Serruys, David Simeone, Nicolas Mollard, Xavier Deschanels
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Microporous and Mesoporous Materials, 2017, 251, pp.146-154. ⟨10.1016/j.micromeso.2017.05.057⟩
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A defect model for UO$_{2+x}$ based on electrical conductivity and deviation from stoichiometry measurements
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Philippe Garcia, Elisabetta Pizzi, Boris Dorado, David A. Andersson, Jean-Paul Crocombette, Chantal Martial, Guido Baldinozzi, David Simeone, Serge Maillard, Guillaume Martin
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Journal of Nuclear Materials, 2017, 494, pp.461 - 472. ⟨10.1016/j.jnucmat.2017.03.033⟩
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Electrical conductivity of UO$_{2+x}$ shows a strong dependence upon oxygen partial pressure and tem .....
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Dielectric Response: Answer to Many Questions in the Methylammonium Lead Halide Solar Cell Absorbers
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Irina Anusca, Sergejus Balčiūnas, Pascale Gemeiner, Šarūnas Svirskas, Mehmet Sanlialp, Gerhard Lackner, Christian Fettkenhauer, Jaroslavas Belovickis, Vytautas Samulionis, Maksim Ivanov, Brahim Dkhil, Juras Banys, Vladimir Shvartsman, Doru Lupascu
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Advanced Energy Materials, 2017, 7 (19), ⟨10.1002/aenm.201700600⟩
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Due to the unprecedented rapid increase of their power conversion efficiency, hybrid organic–inorg .....
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Proton diffusion mechanisms in the double perovskite cathode material GdBaCo2O5.5 : A molecular dynamics study
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Fabien Brieuc, Guilhem Dezanneau, Marc Hayoun, Hichem Dammak
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Solid State Ionics, 2017, 309, pp.187 - 191. ⟨10.1016/j.ssi.2017.07.017⟩
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GdBaCo2O5+x compounds have demonstrated to be very efficient cathode materials not only in solid oxi .....
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DFT+ U study of self-trapping, trapping, and mobility of oxygen-type hole polarons in barium stannate
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Grégory Geneste, Bernard Amadon, Marc Torrent, Guilhem Dezanneau
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (13), pp.134123 - 134123. ⟨10.1103/PhysRevB.96.134123⟩
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The charge-transfer insulating perovskite oxides currently used as fuel cell electrolytes undergo, a .....
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Near transferable phenomenological n -body potentials for noble metals
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Vassilis Pontikis, Gianguido Baldinozzi, Laurence Luneville, David Siméone
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Journal of Physics: Condensed Matter, 2017, 29 (35), ⟨10.1088/1361-648x/aa7766⟩
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We present a semi-empirical model of cohesion in noble metals with suitable parameters reproducing a .....
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Emergent Berezinskii-Kosterlitz-Thouless Phase in Low-Dimensional Ferroelectrics
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Y. Nahas, S. Prokhorenko, I. Kornev, L. Bellaiche
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Physical Review Letters, 2017, 119 (11), ⟨10.1103/PhysRevLett.119.117601⟩
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Using first-principles-based simulations merging an effective Hamiltonian scheme with scaling, symme .....
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Reactivity of 12-tungstophosphoric acid and its inhibitor potency toward Na + /K + -ATPase: A combined 31 P NMR study, ab initio calculations and crystallographic analysis
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Nada Bošnjaković-Pavlović, Danica Bajuk-Bogdanović, Joanna Zakrzewska, Zeyin Yan, Ivanka Holclajtner-Antunović, Jean-Michel Gillet, Anne Spasojević-de Biré
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Journal of Inorganic Biochemistry, 2017, 176, pp.90-99. ⟨10.1016/j.jinorgbio.2017.08.014⟩
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Influence of 12-tungstophosphoric acid (WPA) on conversion of adenosine triphosphate (ATP) to adenos .....
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Hydrogen bond symmetrization and elastic constants under pressure of δ -AlOOH
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Pietro Cortona
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Journal of Physics: Condensed Matter, 2017, 29 (32), ⟨10.1088/1361-648x/aa791f⟩
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The elastic constants of δ-AlOOH have been calculated for applied pressures in the range 0–40 G .....
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Possible charge order structure of stoichiometric YbFe2O4
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Kosuke Fujiwara, Tomoyuki Karasudani, Mamoru Fukunaga, Hiroyuki Kobayashi, Jun Kano, Pierre-Eymeric Janolin, Jean-Michel Kiat, Yoshio Nogami, Ryusuke Kondo, Naoshi Ikeda
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Ferroelectrics, 2017, 512 (1), pp.85 - 91. ⟨10.1080/00150193.2017.1349945⟩
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We report a possible charge ordering model of triangular mixed valence material YbFe2O4. It was foun .....
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Polar nature of stress-induced twin walls in ferroelastic CaTiO3
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H. Yokota, S. Niki, R. Haumont, Pierre-Yves Hicher, Y. Uesu
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AIP Advances, 2017, 7 (8), ⟨10.1063/1.4990608⟩
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A compressive uniaxial mechanical stress is applied on ferroelastic CaTiO3 (CTO), and a change in th .....
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When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical
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Ariste Bolivard Voufack, Nicolas Claiser, Claude Lecomte, Sébastien Pillet, Yves Pontillon, Béatrice Gillon, Zeyin Yan, Jean-Michel Gillet, Marco Marazzi, Alessandro Genoni, Mohamed Souhassou
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Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-..], 2017, 73 (4), pp.544-549. ⟨10.1107/S2052520617008241⟩
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Joint refinement of X-ray and polarized neutron diffraction data has been carried out in order to de .....
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Spin density in YTiO 3 : II. Momentum-space representation of electron spin density supported by position-space results
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Z. Yan, I. A. Kibalin, N. Claiser, S. Gueddida, B. Gillon, A. Gukasov, A. B Voufack, Filippo Morini, Y. Sakurai, M. Brancewicz, M Itou, M Itoh, N. Tsuji, M. Ito, M. Souhassou, C. Lecomte, P. Cortona, J.-M. Gillet
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (5), pp.54427 - 54427. ⟨10.1103/PhysRevB.96.054427⟩
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Unpaired electrons in YTiO 3 ferromagnetic crystal (below 30 K) were studied by polarized neutron di .....
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Dispersion corrections applied to the TCA family of exchange-correlation functionals
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Eduardo A Fabiano, Pietro Cortona
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Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2017, 136 (8), ⟨10.1007/s00214-017-2120-0⟩
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Dispersion corrections, namely the D3 and VV10 methodologies, have been added to the TCA GGA-like fa .....
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Spin density in YTiO 3 : I. Joint refinement of polarized neutron diffraction and magnetic x-ray diffraction data leading to insights into orbital ordering
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I A Kibalin, Z. Yan, A. B Voufack, S. Gueddida, B. Gillon, A. Gukasov, F. Porcher, A M Bataille, Filippo Morini, N. Claiser, M. Souhassou, C. Lecomte, J.-M Gillet, M. Ito, K. Suzuki, H. Sakurai, Y. Sakurai, C. M Hoffmann, X. P Wang
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (5), pp.54426 - 54426. ⟨10.1103/PhysRevB.96.054426⟩
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Orbital ordering below 30 K was previously observed in the ferromagnetic YTiO 3 compound both by pol .....
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Reply to the ‘Comment on “Proton transport in barium stannate: classical, semi-classical and quantum regime”’
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Grégory Geneste, Jessica Hermet, G Dezanneau
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Physical Chemistry Chemical Physics, 2017, 31 (19), pp.21191-21209 ⟨10.1039/c7cp02385e⟩
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We respond to the erroneous criticisms about our modeling of proton transport in barium stannate [G. .....
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Structure and cation ordering in La 2 UO 6 , Ce 2 UO 6 , LaUO 4 , and CeUO 4 by first principles calculations
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L Casillas-Trujillo, H Xu, J W Mcmurray, D Shin, G. Baldinozzi, K E Sickafus
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Computational Materials Science, 2017, 123, pp.201 - 213. ⟨10.1016/j.commatsci.2016.05.042⟩
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In the present work, we have used density functional theory (DFT) and DFT+U to investigate the cryst .....
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Identification of NpO 2+x in the binary Np-O system
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Akhil Tayal, Steven D. Conradson, Gianguido Baldinozzi, Sonu Namdeo, Kevin Roberts, Patrick G. Allen, David Shuh
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Journal of Nuclear Materials, 2017, 490, pp.279 - 287. ⟨10.1016/j.jnucmat.2017.04.019⟩
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In contrast to UO2 and PuO2, there is no consensus on the existence of mixed valence NpO2+x, resulti .....
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Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O3
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Yousra Nahas, Alireza Akbarzadeh, Sergei Prokhorenko, Sergey Prosandeev, Raymond Walter, Igor Kornev, Jorge Íñiguez, L. Bellaiche
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Nature Communications, 2017, 8, ⟨10.1038/ncomms15944⟩
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In light of directives around the world to eliminate toxic materials in various technologies, findin .....
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Intricate disorder in defect fluorite/pyrochlore: a concord of chemistry and crystallography
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David Simeone, Gordon James Thorogood, Da Huo, Laurence Luneville, Gianguido Baldinozzi, Vaclav Petricek, Florence Porcher, Joel Ribis, Leo Mazerolles, Ludovic Largeau, Jean-François Bérar, Suzy Surble
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Scientific Reports, 2017, 7, pp.3727. ⟨10.1038/s41598-017-02787-w⟩
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Intuitively scientists accept that order can emerge from disorder and a significant amount of effort .....
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Interfacial memristors in Al–LaNiO3 heterostructures
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Bobo Tian, Pavan Nukala, Mohamed Ben Hassine, Zhao Xiaolin, Wang Xudong, Shen Hong, Jianlun Wang, Shuo Sun, Lin Tie, Sun Jinglan, Ge Jun, Huang Rong, Duan Chungang, Thomas Reiss, Varela Maria, Brahim Dkhil, Meng Xiangjian, Chu Junhao
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Physical Chemistry Chemical Physics, 2017, 19, pp.16960-16968. ⟨10.1039/C7CP02398G⟩
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Memristive devices are promising circuit elements that enable novel computational approaches which g .....
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Postsynthetic Approach for the Rational Design of Chiral Ferroelectric Metal–Organic Frameworks
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Marta Mon, Jesús Ferrando-Soria, Michel Verdaguer, Cyrille Train, Charles Paillard, Brahim Dkhil, Carlo C. Versace, Bruno Rosario, Donatella Armentano, Emilio Pardo
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Journal of the American Chemical Society, 2017, 139 (24), pp.8098-8101. ⟨10.1021/jacs.7b03633⟩
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Ferroelectrics (FEs) are materials of paramount importance with a wide diversity of applications. He .....
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Toy model for uncommon spin–orbit-driven spin-torque terms
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Charles Paillard, Raymond Walter, Surendra Singh, Brahim Dkhil, L. Bellaiche
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Journal of Physics: Condensed Matter, 2017, 29 (25), ⟨10.1088/1361-648X/aa6eff⟩
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A toy model combining the angular magneto electric (AME) coupling Hamitonian (Mondal et al 2015 Phys .....
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Synthesis, structural, optical and morphological characterization of hematite through the precipitation method: Effect of varying the nature of the base
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Lassoued Abdelmajid, Saber Mohamed Lassoued, Brahim Dkhil, Gadri Abdellatif, Ammar Salah
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Journal of Molecular Structure, 2017, 1141 (5), pp.99-106. ⟨10.1016/j.molstruc.2017.03.077⟩
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Iron oxide (a-Fe2O3) nanoparticles were synthesized using the precipitation synthesis method focusin .....
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Mixtures of hyaluronic acid and liposomes for drug delivery: Phase behavior, microstructure and mobility of liposomes
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Naila El El Kechai, Sandrine Geiger, Arianna Fallacara, Ingrid Cañero Infante, Valérie Nicolas, Evelyne Ferrary, Nicolas Huang, Amélie Bochot, Florence Agnely
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International Journal of Pharmaceutics, 2017, 523, pp.246 - 259. ⟨10.1016/j.ijpharm.2017.03.029⟩
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Hyaluronic acid liposomal gels have previously demonstrated in vivo their great potential for drug d .....
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Single crystal growth of Mn 4 Nb 2 O 9 and its structure-magnetic coupling
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Yiming Cao, Maolin Xiang, Zhenjie Feng, Baojuan Kang, Jincang Zhang, Nicolas Guiblin, Wei Ren, Brahim Dkhil, Shixun Cao
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RSC Advances, 2017, ⟨10.1039/c6ra26231g⟩
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A single crystal of Mn 4 Nb 2 O 9 of about 8 mm in diameter and 30 mm in length was successfully gro .....
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Strain and Magnetic Field Induced Spin-Structure Transitions in Multiferroic BiFeO 3
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Arsène Agbelele, D Sando, C Toulouse, C Paillard, Rd Johnson, R Rüffer, Af Popkov, C Carrétéro, P Rovillain, Jean Marie Le Breton, B Dkhil, M Cazayous, Y Gallais, M.-A. Méasson, A Sacuto, P Manuel, A. K. Zvezdin, Alain Barthélémy, Jean Juraszek, M B Bibes
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Advanced Materials, 2017, 2017, pp.1602327 - 1602327. ⟨10.1002/adma.201602327⟩
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Effect of resistivity ratio on energy storage and dielectric relaxation properties of 0–3 dielectric composites
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Hongbo Liu, B Dkhil
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Journal of Materials Science: Materials in Electronics, 2017, 52, pp.6074-6080. ⟨10.1007/s10853-017-0846-7⟩
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The brick wall model for ceramics was employed to simulate the dielectric response of 0–3 composit .....
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Electric spontaneous polarization in YbFe2O4
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T Nagata, P E Janolin, M Fukunaga, N Roman, K Fujiwara, H Kimura, Jean-Michel Kiat, N Ikeda
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Applied Physics Letters, 2017, 110, pp.52901 - 52901. ⟨10.1063/1.4974994⟩
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We report the observation of the electric spontaneous polarization in YbFe 2 O 4 , one candidate " e .....
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Comparison of bonding and charge density in δ−UO$_3$, γ−UO$_3$, and La$_6$UO$_{12}$
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L. Casillas-Trujillo, G. Baldinozzi, M K Patel, H. Xu, K. E Sickafus
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Physical Review Materials, 2017, 1 (6), pp.65404 - 65404. ⟨10.1103/PhysRevMaterials.1.065404⟩
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This computational paper examines the effect of local atomic environments on the electron charge den .....
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Competition between elastic and chemical effects in the doping, defect association, and hydration of barium stannate
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Grégory Geneste, Guilhem Dezanneau
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Solid State Ionics, 2017, 308, pp.121-132. ⟨10.1016/j.ssi.2017.05.015⟩
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Density-functional theory calculations are performed to examine how two characteristics of a trivale .....
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Control of the shape and size of iron oxide (α-Fe2O3) nanoparticles synthesized through the chemical precipitation method
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Abdelmajid Lassoued, Brahim Dkhil, Abdellatif Gadri, Salah Ammar
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Results in Physics, 2017, 7, pp.3007-3015. ⟨10.1016/j.rinp.2017.07.066⟩
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Hematite (α-Fe2O3) nanoparticles were synthesized via a simple chemical precipitation method. The i .....
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Closure of the Mott gap and formation of a superthermal metal in the Fröhlich-type nonequilibrium polaron Bose-Einstein condensate in UO2+x
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Steven D. Conradson, David A. Andersson, Kevin Boland, Joseph Bradley, Darrin Byler, Tomasz Durakiewicz, Steven Gilbertson, Stosh A. Kozimor, Kristina Kvashnina, Dennis Nordlund, George Rodriguez, Gerald Seidler, Paul Bagus, Sergei Butorin, Dylan R. Conradson, Francisco Espinosa-Faller, Nancy Hess, Joshua Kas, Juan Lezama-Pacheco, Philippe Martin, Mary Martucci, John Rehr, James Valdez, Alan Bishop, Gianguido Baldinozzi, David Clark, Akhil Tayal
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (12), pp.125114. ⟨10.1103/PhysRevB.96.125114⟩
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Mixed valence O-doped UO2+x and photoexcited UO2 containing transitory U3+ and U5+ host a coherent p .....
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https://hal.science/hal-01779634/file/PhysRevB.96.125114-accepted.pdf BibTex
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Large electrocaloric strength and broad electrocaloric temperature span in lead-free Ba 0.85 Ca 0.15 Ti 1Àx Hf x O 3 ceramics
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Xiangjian Wang, Jiagang Wu, Brahim Dkhil, Chunlin Zhao, Tangyuan Li, Wei Li, Xiaojie Lou
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RSC Advances, 2017, ⟨10.1039/c6ra27628h⟩
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The electrocaloric (EC) effect of Ba 0.85 Ca 0.15 Ti 1Àx Hf x O 3 (abbreviated as: BCTH x) ceramics .....
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Enhanced electrocaloric effect near polymorphic phase boundary in lead-free potassium sodium niobate ceramics
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Xiangjian Wang, Jiagang Wu, Brahim Dkhil, Baixiang Xu, Xiaopeng Wang, Guohua Dong, Guang Yang, Xiaojie Lou
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Applied Physics Letters, 2017, 110 (6), pp.063904. ⟨10.1063/1.4976026⟩
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The electrocaloric (EC) effect in lead-free (1-x)(K0.48Na0.52)(Nb0.95Sb0.05)O3-xBi0.5(Na0.82K0.18)0. .....
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Large heat flux in electrocaloric multilayer capacitors
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Romain Faye, Hervé Strozyk, Brahim Dkhil, Emmanuel Defay
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Journal of Physics D: Applied Physics, 2017, 50 (46), pp.464002. ⟨10.1088/1361-6463/aa8d0f⟩
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Multi layer capacitors (MLCs) are considered the most promising refrigerant elements for the design .....
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Revealing the electrophilicity of N-Ac indoles with FeCl _\textrm3 : a mechanistic study
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Rodolphe Beaud, Raj Kumar Nandi, Alejandro Perez-Luna, Régis Guillot, Didier Gori, Cyrille Kouklovsky, Nour-Eddine Ghermani, Vincent Gandon, Guillaume Vincent
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Chemical Communications, 2017, 53 (43), pp.5834--5837. ⟨10.1039/C7CC02756G⟩
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Herein, we report a mechanistic exploration of the unusual FeCl3-mediated hydroarylation of N-Ac ind .....
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Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study
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Xiao Xu, Anne Spasojević-de Biré, Nour Eddine Ghermani, Yongge Wei, Sladjana Novaković, Nada Bošnjaković-Pavlović, Pingfan Wu
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Physical Chemistry Chemical Physics, 2017, 19 (28), pp.18162-18166. ⟨10.1039/C7CP01840A⟩
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A high resolution X-ray diffraction study has been carried out on [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OCCH .....
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Synthesis, structural, optical, morphological and magnetic characterization of copper substituted nickel ferrite (CuxNi1−xFe2O4) through co-precipitation method
auteur
Abdelmajid Lassoued, Mohamed Saber Lassoued, Fabienne Karolak, Santiago García-Granda, Brahim Dkhil, Salah Ammar, Abdellatif Gadri
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Journal of Materials Science: Materials in Electronics, 2017, 28 (24), pp.18480-18488. ⟨10.1007/s10854-017-7795-4⟩
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The CuxNi1−xFe2O4 (x = 0.0, 0.2, 0.5, 0.8, 1.0) nanoferrite powder were synthesized through chemic .....
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Average vs. local structure and composition-property phase diagram of K 0.5 Na 0.5 NbO 3 -Bi ½ Na ½ TiO 3 system
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Laijun Liu, Michael Knapp, Helmut Ehrenberg, Liang Fang, Huiqing Fan, Ljubomira Ana Schmitt, Hartmut Fuess, Markus Hoelzel, Hichem Dammak, Maï Pham Thi, Manuel Hinterstein
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Journal of the European Ceramic Society, 2017, 37 (4), pp.1387 - 1399. ⟨10.1016/j.jeurceramsoc.2016.11.024⟩
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Phase diagram of the solid solution system K 0.5 Na 0.5 NbO 3-Bi ½ Na ½ TiO 3 [(1-x)KNN-xBNT] has .....
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2016

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titre
What Is the Actual Local Crystalline Structure of Uranium Dioxide, UO 2 ? A New Perspective for the Most Used Nuclear Fuel
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L. Desgranges, Y. Ma, Ph. Garcia, G. Baldinozzi, D. Simeone, H. Fischer
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Inorganic Chemistry, 2016, 56 (1), pp.321-326. ⟨10.1021/acs.inorgchem.6b02111⟩
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Grain size-dependent electrical properties of La 1.95 Sr 0.05 Zr 2 O 7-δ as potential Proton Ceramic Fuel Cell electrolyte
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Da Huo, Gianguido Baldinozzi, David Siméone, Hicham Khodja, Suzy Surblé
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Solid State Ionics, 2016, 298, pp.35-43. ⟨10.1016/j.ssi.2016.10.019⟩
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The effect of grain size on the electrical properties of Sr-doped La 2 Zr 2 O 7-δ ceramics densifie .....
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Ultrafast acousto-optic mode conversion in optically birefringent ferroelectrics
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Mariusz F Lejman, Gwenäelle G. Vaudel, Ingrid F Infante, Ievgeniia F Chaban, Thomas Pezeril, Mathieu E Edely, Guillaume E Nataf, Mael Guennou, Jens Kreisel, Vitali Goussev, Brahim Dkhil, Pascal Ruello
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Nature Communications, 2016, 7 (1), ⟨10.1038/ncomms12345⟩
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The ability to generate efficient giga–terahertz coherent acoustic phonons with femtosecond laser .....
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Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations
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Fabien Brieuc, Yael Bronstein, Hichem Dammak, Philippe Depondt, Fabio Finocchi, Marc Hayoun
article
Journal of Chemical Theory and Computation, 2016, 12 (12), pp.DOI: 10.1021/acs.jctc.6b00684. ⟨10.1021/acs.jctc.6b00684⟩
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The quantum thermal bath (QTB) has been presented as an alternative to path-integral-based methods t .....
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Study of the electronic phase transition with low dimensionality in SrVO 3 thin films
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Arnaud Fouchet, Mickaël Allain, Bruno Bérini, Elena Popova, Pierre-Eymeric Janolin, Nicolas Guiblin, Ekaterina Chikoidze, Joseph Scola, David Hrabovsky, Yves Dumont, Niels Keller
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Materials Science and Engineering, 2016, 212, pp.7-13. ⟨10.1016/j.mseb.2016.07.009⟩
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Transport and structural properties of ultrathin films of SrVO 3 (SVO) on SrTiO 3 (0 0 1) substrates .....
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Density functional theory and liquid chromatography-multistage mass spectrometry to characterize raltitrexed photo-degradation mechanisms
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Hassane Sadou-Yayé, Maher Karoui, Philippe-Henri Secrétan, Noureddine Ghermani, Jean-Michel Gillet, Fathi Safta, Najet Yagoubi, Bernard Do
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RSC Advances, 2016, 6 (96), pp.93801-93814. ⟨10.1039/c6ra13144a⟩
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Insight into the synthesis and electrical properties of alkali-earth-substituted Gd3GaO6 oxide-ion and proton conductors
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Anastasia Iakovleva, Anthony Chesnaud, Irina Animitsa, Guilhem Dezanneau
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International Journal of Hydrogen Energy, 2016, 41 (33), pp.14941-14951. ⟨10.1016/j.ijhydene.2016.06.090⟩
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Novel ionic conductors were prepared by substituting Ca2+ and Sr2+ for Gd3+ in Gd3GaO6. A microwave- .....
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Direct and indirect measurements on electrocaloric effect: Recent developments and perspectives
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Yang F Liu, James F Scott, Brahim Dkhil
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Applied Physics Reviews, 2016, 3, pp.031102. ⟨10.1063/1.4958327⟩
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It has been ten years since the discovery of the giant electrocaloric effect in ferroelectric materi .....
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Insight into magnetic, ferroelectric and elastic properties of strained BiFeO 3 thin films through Mössbauer spectroscopy
auteur
Arsène Agbelele, D. Sando, I.C. Infante, C Carrétéro, Samuel Jouen, Jean Marie Le Breton, Alain Barthélémy, B Dkhil, M C Bibes, Jean Juraszek
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Applied Physics Letters, 2016, 109 (109), pp.042902. ⟨10.1063/1.4959790⟩
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We have studied the magnetic order of highly strained (001)-oriented BiFeO3 (BFO) thin filmsusing 57 .....
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Structural Changes in the Local Environment of Uranium Atoms in the Three Phases of U4O9
auteur
L. Desgranges, G. Baldinozzi, David Simeone, H.E. Fischer
article
Bioinorganic chemistry, 2016, 55, pp.7485-7491. ⟨10.1021/acs.inorgchem.6b00654⟩
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The crystal structure of U4O9 remains an enigma because of its differences with U4+ and U5+ coordina .....
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Interpretation of Polar Orders Based on Electric characterizations : example of Pb (Yb1/2Nb1/2)O3-PbTiO3 Solid solution
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Charlotte Cochard, Xavier Bril, Orland Guedes, Pierre- Eymeric Janolin
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Journal of Optoelectronics and Advanced Materials, 2016, ⟨10.1007/S11664-016-4758-0⟩
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Characterizing the polar order is a fundamental step in the understanding of a material and a necess .....
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Giant Optical Polarization Rotation Induced by Spin-Orbit Coupling in Polarons
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Blai C Casals, Rafael C Cichelero, Pablo Garcia Fernández, Javier C Junquera, David C Pesquera, Mariano C Campoy-Quiles, Ingrid C Infante, Florencio C Sánchez, Josep C Fontcuberta, Gervasi C Herranz
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Physical Review Letters, 2016, 117, ⟨10.1103/PhysRevLett.117.026401⟩
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We have uncovered a giant gyrotropic magneto-optical response for doped ferromagnetic manganite La 2 .....
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Spin transitions in La0.7 Ba0.3CoO3 thin films revealed by combining Raman spectroscopy and X-ray diffraction
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Zied Othmen, O. Copie, Kais Daoudi, Michel Boudard, Pascale Gemeiner, Meherzi Oueslati, Brahim Dkhil
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Journal of Applied Physics, 2016, 120, pp.015308. ⟨10.1063/1.4955220⟩
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In cobaltite, the spin states transitions of Co3þ/4þ ions govern the magnetic and electronic condu .....
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Some strategies for improving caloric responses with ferroelectrics
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Yang F Liu, James F Scott, Brahim Dkhil
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APL Materials, 2016, 4, pp.64109 - 64109. ⟨10.1063/1.4954056⟩
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Many important breakthroughs and significant engineering developments have been achieved during the .....
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Simulating the Radio-Frequency Dielectric Response of Relaxor Ferroelectrics: Combination of Coarse-Grained Hamiltonians and Kinetic Monte Carlo Simulations
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Grégory Geneste, L Bellaiche, Jean-Michel Kiat
article
Physical Review Letters, 2016, 116, pp.247601. ⟨10.1103/PhysRevLett.116.247601⟩
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The radio-frequency dielectric response of the lead-free BaðZr 0.5 Ti 0.5 ÞO 3 relaxor ferroelectr .....
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Photostriction in Ferroelectrics from Density Functional Theory
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Charles Paillard, Bin Xu, B Dkhil, Grégory Geneste, L Bellaiche
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Physical Review Letters, 2016, 116, pp.247401. ⟨10.1103/PhysRevLett.116.247401⟩
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An ab initio procedure allowing the computation of the deformation of ferroelectric-based materials .....
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Large reversible caloric effect in FeRh thin films via a dual-stimulus multicaloric cycle
auteur
Yang C Liu, Lee C Phillips, Richard C Mattana, Manuel C Bibes, Agnès C Barthélémy, Brahim Dkhil
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Nature Communications, 2016, ⟨10.1038/ncomms11614⟩
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Giant magnetocaloric materials are promising for solid-state refrigeration, as an alternative to haz .....
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Crystal structure, leakage conduction mechanism evolution and enhanced multiferroic properties in Y-doped BiFeO 3 ceramics
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Jie C Wei, Yang C Liu, Xiaofei C Bai, Chen C Li, Yalong C Liu, Zuo C Xu, Pascale C Gemeiner, Raphael C Haumont, Ingrid C Infante, Brahim Dkhil
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Ceramics International, 2016, 42, pp.13395-13403. ⟨10.1016/j.ceramint.2016.05.106⟩
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Ceramics of pure phase Yttrium (Y) doped BiFeO 3 prepared by a solid-state sintering route were char .....
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Mechanical Properties of ZTA: Correlation with Structural Properties and Influence of Ageing
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Exare C., Jean-Michel Kiat, Nicolas Guiblin, V. Petricek
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Hindawi Publishing Corporation, 2016, pp.4264062. ⟨10.1155/2016/4264062⟩
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We report the mechanical and thermal properties of industrial Zirconia Toughened Alumina (ZTA) compo .....
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Stability of the different A1OOH phases under pressure
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Andres Cedillo, Marc Torrent, P. Cortona
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Journal of Physics: Condensed Matter, 2016, 28 (18), pp.185401. ⟨10.1088/0953-8984/28/18/185401⟩
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The pressure effects on three different AlOOH structures (alpha, gamma, and beta phases) are systema .....
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Structural, electronic and magnetic properties of metal–organic-framework perovskites [AmH] [Mn(HCOO)3]: a first-principles study
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Xiangjian Wang, Gou Gaoyang, Dawei Wang, Xiao Haiyan, Yang Liu, Ming Zhang, B Dkhil, Xiaobing Ren, Xiaojie Lou
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RSC Advances, 2016, ⟨10.1039/c6ra04916h⟩
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We calculate the structural, electronic and magnetic properties of the subgroup of Metal–Organic- .....
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Tunnel electroresistance through organic ferroelectrics
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B.B. Tian, J.L. Wang, S Fusil, Yang Liu, X.L Zhao, S Sun, H. Shen, T. Lin, J.L. Sun, C.G. Duan, M Bibes, Alain Barthélémy, B Dkhil, Garcia V., X.J. Meng, J.H. Chu
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Nature Communications, 2016, ⟨10.1038/ncomms11502⟩
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Organic electronics is emerging for large-area applications such as photovoltaic cells, rollable dis .....
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Mechanical degradation under hydrogen of yttrium doped barium zirconate electrolyte material prepared with NiO additive
auteur
Ciria Désirée, Mohamed Ben Hassine, M. Jimenez-Melendo, Anastasia Iakovleva, Paul Haghi-Ashtiani, Véronique Aubin, Guilhem Dezanneau
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Journal of Power Sources, 2016, 321, pp.226-232. ⟨10.1016/j.jpowsour.2016.05.001⟩
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Recently, a novel process was presented to fabricate dense yttrium-doped barium zirconate electrolyt .....
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A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase
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Xiao M Xu, Nada B Bošnjaković-Pavlović, Mirjana M Čolović, Danijela M Krstić, Vesna M Vasić, Jean-Michel Gillet, Pingfan M Wu, Yongge B Wei, Anne M Spasojević-de Biré
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Journal of Inorganic Biochemistry, 2016, 161, pp.27 - 36. ⟨10.1016/j.jinorgbio.2016.04.029⟩
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In vitro influence of five synthesized functionalized hexavanadates (V 6) on commercial porcine cere .....
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Lowering of ground state induced by core-shell structure in strontium titanate
auteur
Jean-Michel Kiat, Bernard Hehlen, Mickaël Anoufa, Christine Bogicevic, A M Curfs, Bernard Boyer, A M Al-Sabbagh, F M Porcher, A M Al-Zein
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Physical Review B, 2016, 93, pp.144117 - 144117. ⟨10.1103/PhysRevB.93.144117⟩
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Kinetics of the solid+solid transformations for the piracetam trimorphic system: Incidence on the construction of the p–T equilibrium phase diagram
auteur
Yohann Corvis, Anne Spasojevic - de Biré, Camille Alzina, Nicolas Guiblin, Philippe Espeau
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Journal of Chemical Thermodynamics, 2016, 97, pp.167-172. ⟨10.1016/j.jct.2016.01.016⟩
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The three common polymorphs of piracetam have been characterized by associating thermal analysis, X- .....
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Strontium titanate (100) surfaces monitoring by high temperature in situ ellipsometry
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Mickaël Allain, Pierre-Eymeric Janolin, Nicolas Guiblin, Ekaterina Chikoidze, Joseph Scola, Elena Popova, Marwan Deb, Laura Bocher, Alexandre Gloter, Odile Stephan, Bénédicte Warot-Fonrose, David Hrabovsky, Bruno Berini, Arnaud Fouchet, D. Aureau, Niels Keller, A. Etcheberry, Yves Dumont
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Applied Surface Science, 2016, 367 (11), pp.307-311. ⟨10.1016/j.apsusc.2016.01.175⟩
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Quantum Thermal Bath for Path Integral Molecular Dynamics Simulation
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Fabien Brieuc, Hichem Dammak, Marc Hayoun
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Journal of Chemical Theory and Computation, 2016, 12 (3), pp.1351 - 1359. ⟨10.1021/acs.jctc.5b01146⟩
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The quantum thermal bath (QTB) method has been recently developed to account for the quantum nature .....
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Deciphering the Conformational Choreography of Zinc Coordination Complexes with Standard and Novel Proton NMR Techniques Combined with DFT Methods
auteur
J.E. Herbert Pucheta, Damien Prim, Jean-Michel Gillet, Jonathan Farjon
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ChemPhysChem, 2016, 17, pp.1-13. ⟨10.1002/cphc.201501114⟩
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The presence of water has been shown to deeply impact the stability and geometry of Zn complexes in .....
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Size Effect on Optical and Photocatalytic Properties in BiFeO 3 Nanoparticles
auteur
Xiaofei Bai, Jie Wei, Bobo Tian, Yang Liu, Thomas Reiss, Nicolas Guiblin, Pascale Gemeiner, Brahim Dkhil, I.C. Infante
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Journal of Physical Chemistry C, 2016, 120, pp.3595-3601. ⟨10.1021/acs.jpcc.5b09945⟩
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In this work we study the influence of grain and particle size on the structural and optical propert .....
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Wang-Landau Monte Carlo formalism applied to ferroelectrics
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S Bin-Omran, Kornev I.A., L Bellaiche
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 93, pp.014104. ⟨10.1103/PhysRevB.93.014104⟩
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The Wang-Landau Monte Carlo algorithm is implemented within an effective Hamiltonian approach and ap .....
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Pinched hysteresis loop in defect-free ferroelectric materials
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Bin Xu, Charles Paillard, B Dkhil, L Bellaiche
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 94, pp.140101 - 140101. ⟨10.1103/PhysRevB.94.140101⟩
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In addition to the single polarization-versus-electric field hysteresis loop that is characteristic .....
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A novel perovskite oxide chemically designed to show multiferroic phase boundary with room-temperature magnetoelectricity
auteur
C.M. Fernández-Posada, A. Castro, Jean-Michel Kiat, F. Porcher, O. Peña, M. Alguero, H. Amorín
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Nature Communications, 2016, 7 (1), pp.12772. ⟨10.1038/ncomms12772⟩
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There is a growing activity in the search of novel single-phase multiferroics that could finally pro .....
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Experimental electron densities of neutral and zwitterionic forms of piroxicam drug
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Xiaoxuan Shi, Nouha El Hassan, Aziza Ikni, Wenjing Li, N. Guiblin, A. Spasojević De-Biré, N. Ghermani
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CrystEngComm, 2016, 18 (18), pp.3289 - 3299. ⟨10.1039/C5CE02397A⟩
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The electron and electrostatic properties of piroxicam (PX) were derived from high resolution X-ray .....
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Single-domain (110) PbTiO3 thin films: Thermodynamic theory and experiments
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P Mtebwa, P K Tagantsev, T Yamada, N Setter, P. Gemeiner, B. Dkhil
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 93, pp.144113. ⟨10.1103/PhysRevB.93.144113⟩
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We report the thermodynamic potential for single-domain (110) thin films epitaxially grown on dissim .....
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Semiclassical atom theory applied to solid-state physics
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Lucian A Constantin, Aleksandrs A Terentjevs, Fabio Della Sala, Pietro Cortona, Eduardo A Fabiano
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 93, pp.045126. ⟨10.1103/PhysRevB.93.045126⟩
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Using the semiclassical neutral atom theory, we extend to fourth order the modified gradient expansi .....
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Photovoltaics with Ferroelectrics: Current Status and Beyond
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Charles Paillard, Xiaofei Bai, I.C. Infante, Mael Guennou, Grégory Geneste, Alexe M., J. Kreisel, B Dkhil
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Advanced Materials, 2016, 28, pp.5153. ⟨10.1002/adma;201502515⟩
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Ferroelectrics carry a switchable spontaneous electric polarization. This polarization is usually co .....
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Electrochemical activity and high ionic conductivity of lithium copper pyroborate Li6CuB4O10
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F. Strauss, G. Rousse, Daniel Alves Dalla Corte, M. Ben Hassine, M. Saubanère, M. Tang, H. Vezin, M. Courty, R. Dominko, J.-M. Tarascon
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Physical Chemistry Chemical Physics, 2016, 18, pp.14960 - 14969. ⟨10.1039/c6cp01581f⟩
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In the search for new cathode materials for Li-ion batteries, borate (BO33-) b .....
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On the origin of the great rigidity of self-assembled diphenylalanine nanotubes
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Pavel Zelenovskiy, Igor Kornev, Semen Vasilev, Andrei Kholkin
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Physical Chemistry Chemical Physics, 2016, 135, pp.185 - 29685. ⟨10.1039/C6CP04337B⟩
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The elastic properties of the nanotubes of self-assembled aromatic dipeptide diphenylalanine are inv .....
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Topological Point Defects in Relaxor Ferroelectrics
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Y. Nahas, S. Prokhorenko, I. Kornev, L. Bellaiche
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Physical Review Letters, 2016, 116 (12), pp.127601. ⟨10.1103/PhysRevLett.116.127601⟩
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First-principles-based effective Hamiltonian simulations are used to reveal the hidden connection be .....
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Subcascade formation and defect cluster size scaling in high-energy collision events in metals
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A. de Backer, A.E. Sand, K. Nordlund, Laurence Luneville, D Simeone, S.L. Dudarev
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EPL - Europhysics Letters, 2016, 115, pp.26001. ⟨10.1209/0295-5075/115/26001⟩
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It has been recently established that the size of the defects created under ion irradiation follows .....
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Diffuse X-ray scattering from 180° ferroelectric stripe domains: polarization-induced strain, period disorder and wall roughness
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Alexandre Boulle, Infante Ingrid C., Nathalie Lemee
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Journal of Applied Crystallography, 2016, 49 (3), pp.845-855. ⟨10.1107/S1600576716005331⟩
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A key element in ferroic materials is the presence of walls, separating domains with different orien .....
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Insight into electrocaloric cooling power in multilayer capacitors using infra-red camera
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Yang Liu, Hervé Strozyk, Brahim Dkhil, Emmanuel Defay
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Applied Physics Letters, 2016, 109, pp.212902. ⟨10.1063/1.4968581⟩
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Compact multilayer capacitors (MLCs) have attracted strong interest as the most promising elements f .....
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Towards multicaloric effect with ferroelectrics
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Yang Li, Guangzu Zhang, Li Qi, Laurent F Bellaiche, James F Scott, Brahim Dkhil, Qing Wang
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 94, pp.214113 - 214113. ⟨10.1103/PhysRevB.94.214113⟩
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Utilizing thermal changes in solid-state materials strategically offers caloric-based alternatives t .....
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Non-Photochemical Laser-Induced Nucleation of Sulfathiazole in a Water/Ethanol Mixture
auteur
Wenjing Li, Aziza Ikni, Philippe Scouflaire, Xiaoxuan Shi, Nouha El Hassan, Pascale Gemeiner, Jean-Michel Gillet, Anne Spasojevic de Biré
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Crystal Growth & Design, 2016, 16 (5), pp.2514 - 2526. ⟨10.1021/acs.cgd.5b01526⟩
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Non-photochemical laser-induced nucleation (NPLIN) is an original and promising nucleation method th .....
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Spatially Resolved Imaging of Electrocaloric Effect and the Resultant Heat Flux in Multilayer Capacitors
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Yang Liu, Brahim Dkhil, Emmanuel Defay
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ACS Energy Letters, 2016, 1, pp.521 - 528. ⟨10.1021/acsenergylett.6b00232⟩
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Multilayer capacitors (MLCs) are one of the most 11 studied electrocaloric (EC) systems because they .....
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Patterning in systems driven by nonlocal external forces
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Laurence Luneville, K Mallick, V Pontikis, D Simeone
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Physical Review E , 2016, 94, pp.052126. ⟨10.1103/PhysRevE.94.052126⟩
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This work focuses on systems displaying domain patterns resulting from competing external and intern .....
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Phase transition, leakage conduction mechanism evolution and enhanced ferroelectric properties in multiferroic Mn-doped BiFeO3 thin films
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Yalong Liu, Jie Wei, Yang Liu, Xiaofei Bai, Peng Shi, Mao Shengchum, Zhang Xueqian, Chen Li, B Dkhil
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Journal of Electronic Materials, 2016, 27, pp.3095-3102. ⟨10.1007/s10854-015-4135-4⟩
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Pure and Mn-doped BiFeO3 thin films were prepared by a facile chemical solution deposition process. .....
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Giant electrocaloric effect in lead-free Ba 0.94 Ca 0.06 Ti 12x Sn x O 3 ceramics with tunable Curie temperature
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Xiangjian Wang, Fang Tian, Chunlin Zhao, Jiagang Wu, Yang Liu, Brahim Dkhil, Ming Zhang, Zhipeng Gao, Xiaojie Lou
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Applied Physics Letters, 2015, 107, pp.252906. ⟨10.1063/1.4938134⟩
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Electrocaloric effect in lead-free Ba0.94Ca0.06Ti1−xSnxO3 ceramics is studied using an indirect me .....
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Space-charge Effect on Electroresistance in Metal-Ferroelectric-Metal capacitors
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Bobo Tian, Yang Liu, Liu Fang Chen, Jian Lu Wang, Shuo Sun, Hong Shen, Jing Lan Sun, Guo Liang Yuan, Stéphane Fusil, Vincent Garcia, Brahim Dkhil, Xiang Jian Meng, Jun Hao Chu
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Scientific Reports, 2015, 5, pp.18297. ⟨10.1038/srep18297⟩
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Resistive switching through electroresistance (ER) effect in metal-ferroelectric-metal (MFM) capacit .....
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Global Hybrids from the Semiclassical Atom Theory Satisfying the Local Density Linear Response
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Eduardo Fabiano, Lucian A. Constantin, Pietro Cortona, Fabio Della Sala
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Journal of Chemical Theory and Computation, 2015, 11, pp.122-131. ⟨10.1021/ct500902p⟩
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We propose global hybrid approximations of the exchange-correlation (XC) energy functional which rep .....
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Standardization and validation of a protocol of zeta potential evaluation by electrophoretic light scattering for nanomaterial characterization
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Fanny Varenne, Jérémie Botton, Claire Merlet, Jean-Jacques Vachon, Sandrine Geiger, Ingrid C Infante, Mohamed M Chehimi, Christine Vauthier
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Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2015, 486, pp.218 - 231. ⟨10.1016/j.colsurfa.2015.08.044⟩
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Surface properties of nanomaterials are important characteristics influencing the in vivo fate. Toda .....
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PCB Near-Field Transient Emission Time-Domain Model
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Blaise Elysée Guy Ravelo, Yang Liu, Adam Jastrzebski
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IEEE Transactions on Electromagnetic Compatibility, 2015, 57 (6), pp.1320-1328. ⟨10.1109/TEMC.2015.2438053⟩
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Switching Behaviors of Graphene-Boron Nitride Nanotube Heterojunctions
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Vyom Parashar, Corentin Durand, Boyi Hao, Rodrigo Amorim, Ravindra Pandey, Bishnu Tiwari, Dongyan Zhang, Yang Liu, An-Ping Li, Yoke Khin Yap
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Scientific Reports, 2015, 5 (1), pp.12238. ⟨10.1038/srep12238⟩
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Confinement effect on coercive field in relaxor terpolymer nanowires
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B.L. Liu, Bobo Tian, J.L. Sun, Y. Liu, J.L. Wang, Sh. Sun, X.J. Meng, J.H. Chu
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Applied Surface Science, 2015, 355, pp.473-476. ⟨10.1016/j.apsusc.2015.07.067⟩
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Electrocaloric effect in core-shell ferroelectric ceramics: Theoretical approach and practical conclusions
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Mickaël Anoufa, Jean-Michel Kiat, Christine Bogicevic
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Applied Physics Letters, 2015, 107, pp.172902. ⟨10.1063/1.4934742]⟩
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Discovery of stable skyrmionic state in ferroelectric nanocomposites
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Y Nahas, S Prokhorenko, L Louis, Z Gui, Igor Kornev, Laurent Bellaiche
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Nature Communications, 2015, 6, pp.8542. ⟨10.1038/ncomms9542⟩
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Non-coplanar swirling field textures, or skyrmions, are now widely recognized as objects of both fun .....
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Hydration, oxidation, and reduction of GdBaCo 2 O 5.5 from first-principles
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Esther Coulaud, Guilhem Dezanneau, Grégory Geneste
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Journal of Materials Chemistry A, 2015, 3, pp.23917-23929. ⟨10.1039/c5ta05388a⟩
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Structural, magnetic and chemical properties of GdBaCo 2 O 5.5 regarding hydration, oxidation and re .....
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Relativistic interaction Hamiltonian coupling the angular momentum of light and the electron spin
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Ritwik Mondal, Marco Berritta, Charles Paillard, Surendra Singh, Brahim Dkhil, Peter M. Oppeneer, L Bellaiche
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 92, pp.100402. ⟨10.1103/PhysRevB.92.100402⟩
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On the basis of the Dirac equation, a relativistic interaction Hamiltonian is derived which linearly .....
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Homogeneous switching mechanism in pure polyvinylidene fluoride ultrathin films
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B.B. Tian, L.F. Chen, Yi Liu, Bai X.F., J.L. Wang, Sh Sun, G.L. Yuan, J.L. Sun, B Dkhil, X.J. Meng, J.H. Chu
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 92, pp.060102. ⟨10.1103/PhysRevB.92.060102⟩
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Polarization switching kinetics is one of the key issues for future development of nanoelectronic de .....
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Negative-pressure-induced enhancement in a freestanding ferroelectric
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Jin Wang, Ben Wylie-van Eerd, Tomas Sluka, Cosmin Sandu, Marco Cantoni, Xian-Kui Wei, Alexander Kvasov, Leo John Mcgilly, Pascale Gemeiner, Brahim Dkhil, Alexander Tagantsev, Joe Trodahl, Nava Setter
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Nature Materials, 2015, 14 (10), pp.985. ⟨10.1038/NMAT4365⟩
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Ferroelectrics are widespread in technology 1 , being used in electronics and communications 2 , med .....
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Ferroelectricity and weak ferromagnetism of hexagonal ErFeO 3 thin films
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Hiroko Yokota, Tomoya Nozue, Shin Nakamura, Hajime Hojo, Mamoru Fukunaga, Pierre-Eymeric Janolin, Jean-Michel Kiat, Akio Fuwa
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 92, pp.054101. ⟨10.1103/PhysRevB.92.054101⟩
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Hexagonal ErFeO 3 thin films fabricated by a pulsed laser deposition method were investigated by x-r .....
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Impact of Spark Plasma Sintering Conditions on Ionic Conductivity in La1.95Sr0.05Zr2O7-δ Electrolyte Material for Intermediate Temperature SOFCs
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Da Huo, Gianguido Baldinozzi, David Simeone, Hicham Kodja, S. Surblé
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ECS Transactions, 2015, 68 (1), pp.2645-2652. ⟨10.1149/06801.2645ecst⟩
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To overcome the ageing issues of the solid oxide fuel cells (SOFCs), the proton ceramic fuel cells ( .....
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Thickness Dependence of the Properties of Epitaxial Barium Strontium Titanate Thin Films
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V.-B. Shirokov, Yu I. Golovko, V.M. Mukhortov, Yu. I. Yuzyuk, P.-E Janolin, B. Dkhil
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Physics of the Solid State, 2015, 57 (8), pp.1529-1534. ⟨10.1134/S1063783415080314⟩
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Heteroepitaxial Ba (x) Sr1 - x TiO3 thin films of different thicknesses have been studied in the par .....
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Dielectric evidence of persistence of polar nanoregions within the ferroelectric phases of ð1 À x ÞPbðZn 1=3 Nb 2=3 ÞO 3 À x PbTiO 3 relaxor ferroelectric system
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Mouhamed Amin Hentati, Hichem Dammak, Hamadi Khemakhem, Nicolas Guiblin
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Journal of Applied Physics, 2015, 118, pp.034104. ⟨10.1063/1.4926877]⟩
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The electromechanical and structural properties of ½001 and ½111-oriented PbðZn 1=3 Nb 2=3 ÞO 3 .....
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Localizing and inducing primary nucleation
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Z. Hammadi, R. Grossier, Aziza Ikni, N. Candoni, R. Morin, S. Veesler
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Faraday Discussions, 2015, 179, pp.489-501. ⟨10.1039/c4fd00274a⟩
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Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges
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Piero Macchi, Jean-Michel Gillet, Francis Taulelle, Javier Campo, Nicolas Claiser, Claude Lecomte
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International Union of Crystallography journal, 2015, 2 (4), pp.441-451. ⟨10.1107/S2052252515007538⟩
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Electron density is a fundamental quantity that enables understanding of the chemical bonding in a m .....
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Finite-temperature properties of the relaxor PbMg 1/3 Nb 2/3 O 3 from atomistic simulations
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A Al-Barakaty, Sergey Prosandeev, Dawei Wang, B Dkhil, L Bellaiche
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 91, pp.214117. ⟨10.1103/PhysRevB.91.214117⟩
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An atomistic numerical scheme is developed and used to study the prototype of relaxor ferroelectrics .....
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Spin and lattice excitations of a BiFeO3 thin film and ceramics
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S Skiadopoulou, V Goian, C Kadlec, F Kadlec, Bai X.F., Ingrid C.Infante, B Dkhil, C Adamo, D.G. Schlom, S Kamba
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 91, pp.174108. ⟨10.1103/PhysRevB.91.174108⟩
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2 count the nearest and next-nearest neighbor exchange interactions, two Dzyaloshinskii-Moriya inter .....
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Mesoporous ceramic oxides as humidity sensors: A case study for gadolinium-doped ceria
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L Almar, A Tarancón, T Andreu, M Torrell, Y Hu, G Dezanneau, A Morata
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Sensors and Actuators B: Chemical, 2015, 216, pp.41-48. ⟨10.1016/j.snb.2015.04.018⟩
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Mesoporous materials have been studied as high performance sensing materials due to their singular m .....
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Modelling the experimental electron density : only the synergy of various approaches can tackle the new challenge
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Piero Macchi, Jean-Michel Gillet, Francis Taulelle, Javier Campo, N. Claiser, Claude Lecomte
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International Union of Crystallography journal, 2015, ⟨10.1107/S205225515007538⟩
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Electrondensity is a fundamental quantity that enables understanding of the chemical bonding in a mo .....
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Polarization fatigue in antiferroelectric (Pb,La)(Zr,Ti)O 3 thin films: The role of the effective strength of driving waveform
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Wenping Geng, Yang Liu, Xiaojie Lou, Fuping Zhang, Qida Liu, Brahim Dkhil, Ming Zhang, Xiaobing Ren, Hongliang He, Anquan Jiang
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Ceramics International, 2015, 41, pp.S289-S295. ⟨10.1016/j.ceramint.2015.03.265⟩
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In this study, a critical parameter termed as " effective electric strength " is developed to depict .....
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Strain effects on multiferroic BiFeO3 films
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Yurong Yang, Ingrid C. Infante, Brahim Dkhil, Laurent Bellaiche
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Comptes Rendus. Physique, 2015, 16 (2), pp.193-203. ⟨10.1016/j.crhy.2015.01.010⟩
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The field of multiferroics has experienced a rapid progress resulting in the discovery of many new p .....
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Strong electrocaloric effect in lead-free 0.65Ba(Zr0.2Ti0.8)O3-0.35(Ba0.7Ca0.3)TiO3 ceramics obtained by direct measurements
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Mehmet Sanlialp, V.V. Shvartsman, Matias Acosta, Brahim Dkhil, D.C. Lupascu
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Applied Physics Letters, 2015, 106, pp.062901. ⟨10.1063/1.4907774⟩
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Strong electrocaloric effect in lead-free 0.65Ba(Zr 0.2 Ti 0.8)O 3-0.35(Ba 0.7 Ca 0.3)TiO 3 ceramics .....
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Influence of epitaxial strain on elastocaloric effect in ferroelectric thin films
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Yang Liu, Wei Jie, Xiaojie Lou, Laurent Bellaiche, James F. Scott, Brahim Dkhil
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Applied Physics Letters, 2015, 106, pp.032901. ⟨10.1063/1.4906198⟩
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We report the influence of epitaxial strain um on the elastocaloric properties of BaTiO3 thin films. .....
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Post-deposition control of ferroelestic stripe domains and internal electric field by thermal treatment
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Feigl L., P.-E Janolin, T. Yamadaya, M. Iwanowska, C.S. Sandu, N. Setter
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Applied Physics Letters, 2015, 106, pp.032902. ⟨10.1063/1.4906295⟩
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The dependence of the formation of ferroelastic stripe domain patternes on the thermal history is in .....
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Local electrical control of magnetic order and orientation by ferroelastic domain arrangements just above room temperature
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L.C. Phillips, R.O. Cherifi, V Ivanovskaya, A Zobelli, I.C. Infante, E Jacquet, N Guiblin, A.A. Unal, F Kronast, B Dkhil, Alain Barthélémy, M Bibes, S. Valencia
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Scientific Reports, 2015, ⟨10.1038/srep10026⟩
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Ferroic materials (ferromagnetic, ferroelectric, ferroelastic) usually divide into domains with diff .....
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Morphogenesis mechanisms in the solvothermal synthesis of BaTiO3 from titanate nanorods and nanotubes
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Christine Bogicevic, G. Thorner, Fabienne Karolak, P. Haghi-Ashtiani, Jean-Michel Kiat
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Nanoscale, 2015, ⟨10.1039/c4nr06266c⟩
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Ab initio calculations of ideal and defective bismuth telluride nanotubes
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Alex Pokropivny, Shiyun Xiong, Yurii Chumakov, Pietro Cortona, Sebastian Volz
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physica status solidi (b), 2015, 252, pp.517-520. ⟨10.1002/pssb.201451097⟩
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Stability and electronic structures are analyzed for ideal bilayer and trilayer Bi–Te nanotubes an .....
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Structural evolution of ZTA composites during synthesis and processing
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Exare C., Jean-Michel Kiat, N. Guiblin, F. Porcher, V. Petricek
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Journal of the European Ceramic Society, 2015, 35 (4), pp.1273-1283. ⟨10.1016/j.jeurceramsoc.2014.10.031⟩
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Improving the functional properties of (K0.5Na0.5)NbO3 piezoceramics by acceptor doping
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X. Vendrell, J.E. García, X. Bril, D.A. Ochoa, L. Mestres, G. Dezanneau
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Journal of the European Ceramic Society, 2015, 35 (1), pp.125-130. ⟨10.1016/j.jeurceramsoc.2014.08.033⟩
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ZrO2 and TiO2 modified lead-free (K0.5Na0.5)NbO3 (KNN) piezoelectric ceramics are prepared by a conv .....
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Assessment of the TCA functional in computational chemistry and solid‑state physics
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E Fabiano, L.A. Constantin, A. Terentjevs, Fabio Della Sala, P. Cortona
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Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2015, ⟨10.1007/s00214-015-1740-5⟩
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We assess the Tognetti–Cortona–Adamo (TCA) generalized gradient approximation correlation functi .....
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Giant negative electrocaloric effect in antiferroelectric LaDoped Pb(ZrTi)O3 thin films near room temperature
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Wenping Geng, Liu Yang, Meng Xiangjian, Laurent Bellaiche, James F. Scott, Brahim Dkhil, Anquan Jiang
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Advanced Materials, 2015, ⟨10.1002/adma.201501100⟩
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Antiferroelectric thin films are demonstrated as a new class of giant electrocaloric materials that .....
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Proton transport in barium stannate: classical, semi-classical and quantum regimes
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Grégory Geneste, Alistar Ottochian, Jessica Hermet, Guilhem Dezanneau
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ChemPhysChem, 2015, 17, pp.19104-19118. ⟨10.1039/c5cp01216c⟩
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Density-functional theory calculations are performed to investigate proton transport in BaSnO 3. Str .....
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β phase instability in poly(vinylidene fluoride/trifluoroethylene) thin films near β relaxation temperature
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B.B. Tian, X. F. Bai, Y. Liu, P Gemeiner, X. L. Zhao, B. L. Liu, Y.H. Zou, X.D. Wang, H. Huang, J.L. Wang, Sh. Sun, J.L. Sun, B. Dkhil, X.J. Meng, J.H. Chu
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Applied Physics Letters, 2015, 106 (106), pp.092902. ⟨10.1063/1.4913968⟩
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The β phase stability in poly(vinylidene fluoride/trifluoroethylene) [P(VDF-TrFE)] thin films was s .....
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Original Reaction Sequence of Pb(Yb1/2Nb1/2)O-3-PbTiO3: Consequences on Dielectric Properties and Chemical Order
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Charlotte Cochard, Fabienne Karolak, Christine Bogicevic, Orland Guedes, Pierre-Eymeric Janolin
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Advances in Materials Science and Engineering, 2015, 2015, pp.408101. ⟨10.1155/2015/408101⟩
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The solid solution [Pb(Yb 1/2 Nb 1/2)O 3 ] 1−x-[PbTiO 3 ] x was synthesized with í µí±¥ ≤ 6 .....
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Tailoring the room temperature ferroelectric/paraelectric state in polycrystalline (Ba 0.70 Sr 0.30)TiO 3 thin films for silicon compatible integration
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Xiaohong Zhu, Gwenaël Le Rhun, Brahim Dkhil, Yinjuan Ren, Jiliang Zhu, Marc Aïd, Emmanuel Defaÿ
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Ceramics International, 2015, 41, pp.14412-14418. ⟨10.1016/j.ceramint.2015.07.076⟩
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Polycrystalline (Ba 0.70 Sr 0.30)TiO 3 (BST) thin films were prepared by ion beam sputtering and pos .....
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Influence of sintering methods on microstructure and ionic conductivity of La1.95Sr0.05Zr2O6.975 synthesized by co-precipitation
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Da Huo, Dominique Gosset, David Siméone, Gianguido Baldinozzi, Hicham Khodja, Benjamin Villeroy, Suzy Surblé
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Solid State Ionics, 2015, 278, pp.181-185. ⟨10.1016/j.ssi.2015.05.028⟩
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We present here the synthesis of Sr-doped lanthanumzirconate pyrochlores La1.95Sr0.05Zr2O6.975with c .....
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Surface atomic and chemical structure of relaxor Sr0.63Ba0.37Nb2O6(001)
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J. L. Wang, B. Vilquin, B. Gautier, G. Dezanneau, N. Barrett
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Applied Physics Letters, 2015, 106, pp.242901. ⟨10.1063/1.4922773⟩
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The surface atomic and chemical structures of a Sr0.63Ba0.37Nb2O6(001) single crystal are studied us .....
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Les rayon X et les neutrons se combinent pour révéler la densité résolue en spin
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Maxime Deutsch, N. Claiser, Béatrice Gillon, Claude Lecomte, Mohamed Souhassou, Dominique Luneau, Jean-Michel Gillet
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Reflets de la Physique, 2015, 44-45, pp.62 - 67. ⟨10.1051/refdp/20154445062⟩
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La distribution des électrons dans un cristal peut être reconstruite avec une grande précision au .....
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Effective driving voltage on polarization fatigue in (Pb,La)(Zr,Ti)O3 antiferroelectric thin films
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Wenping Geng, Xiaojie Lou, Xu Jianghong, Fuping Zhang, Liu Yang, Brahim Dkhil, Xiaobing Ren, Zhang Ming, Hongliang He
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Ceramics International, 2015, 41 (Issue 1, Part A), pp.109-114. ⟨10.1016/j.ceramint.2014.08.041⟩
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Polarization fatigue in (Pb0.97La0.02)(Zr0.95Ti0.05)O3(PLZT) antiferroelectric thin films deposited .....
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A New Method Combining Finite Element Analysis and Digital Image Correlation to Assess Macroscopic Mechanical Properties of Dentin
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Wenlong Wang, Nicolas Roubier, Guillaume Puel, Jean-Marc Allain, Infante Ingrid C., Jean-Pierre Attal, Elsa Vennat
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Materials, 2015, 8 (2), pp.535 - 550. ⟨10.3390/ma8020535⟩
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A literature review points out a large discrepancy in the results of the mechanical tests on dentin .....
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High-temperature anion and proton conduction in RE3NbO7 (RE = La, Gd, Y, Yb, Lu) compounds
auteur
Anthony Chesnaud, Marc David Braida, Sonia Estradé, Francesca Peiro, A. Tarancon, A. Morata, Guilhem Dezanneau
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Journal of the European Ceramic Society, 2015, 35, pp.3051-3061. ⟨10.1016/j.jeurceramsoc.2015.04.014⟩
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The oxide-ion and proton conduction properties of RE3NbO7 (RE = La, Gd, Y, Yb, Lu) compounds were in .....
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Experimental evidence that a high electric field acts as an efficient external parameter during crystalline growth of bulk oxide
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Patrick Hicher, Raphaël Haumont, Romuald Saint-Martin, Xavier Mininger, Patrick Berthet, Alexandre Revcolevschi
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Journal of Crystal Growth, 2015, 409, pp.23-26. ⟨10.1016/j.jcrysgro.2014.09.033⟩
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A new crystal growth device, in which a high static external electric voltage (up to 14 kV) is added .....
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Interdiffusion processes at irradiated Cr/Si interfaces
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L. Luneville, L. Largeau, C. Deranlot, J. Ribis, F. Ott, N. Moncoffre, G. Baldinozzi, D. Simeone
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Journal of Alloys and Compounds, 2015, 626, pp.65-69. ⟨10.1016/j.jallcom.2014.11.121⟩
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Chromium silicon CrSi alloys are foreseen as possible materials for spintronic devices. Ion beam mix .....
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2014

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Tunnel-mediated coupling between antiferromagnetic thin films
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Marie-Alix Leroy, Alexandre Bataille, Brahim Dkhil, Florence Porcher, Antoine Barbier, V.L.R. Jacques, Yuan Lu, Christine Bellouard, Thomas Hauet, Sylvain Ravy, Javier Herrero-Martin, Christophe Gatel, Karim Bouzehouane, Arsen Gukasov, Stéphane Andrieu, Coriolan Tiusan
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 90 (90), pp.035432. ⟨10.1103/PhysRevB.90.035432⟩
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The study, tailoring, and control of the coupling between magnetic layers triggered the development .....
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Giant ultrafast photo-induced shear strain in ferroelectric BiFeO 3
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Mariusz Lejman, Gwenaelle Vaudel, Ingrid C. Infante, Pascale Gemeiner, Vitali Goussev, Brahim Dkhil, Pascal Ruello
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Nature Communications, 2014, ⟨10.1038/ncomms5301⟩
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Generation of strain using light is a key issue for future development of ultrasonic devices. Up to .....
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Cristallogenèse déclenchée par impulsion laser
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Jacqueline Belloni, Anne Spasojevic - de Biré, Sebastien Sorgues, Mehran Mostafavi, Philippe Scouflaire, Nour-Eddine Ghermani
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L'Actualité Chimique, 2014, juil.-août-sept.-oct. 387-388-389, pp.77-84
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Le principe des études présentées dans cet article sur la cristallogénèse est de provoquer un c .....
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Strain engineering of perovskite thin films using a single substrate
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P.-E. Janolin, A.S. Anokhin, Z. Gui, V.M. Mukhortov, Yu I. Golovko, N. Guiblin, S. Ravy, Mimoun El Marssi, Yu.I. Yuzyuk, L. Bellaiche, B. Dkhil
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Journal of Physics: Condensed Matter, 2014, 26, pp.292201. ⟨10.1088/0953-8984/26/29/292201⟩
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Combining temperature-dependent x-ray diffraction, Raman spectroscopy and firstprinciples-based effe .....
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Size effects in a relaxor : further insights into PMN
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Robertas Grigalaitis, Mile Ivanović, J. Macutkevic, J. Banys, J. Carreaud, Jean-Michel Kiat, V V Laguta, B Zalar
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Journal of Physics: Condensed Matter, 2014, 26 (27), pp.272201. ⟨10.1088/0953-8984/26/27/272201⟩
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Axial hypertoroidal moment in a ferroelectric nanotorus: A way to switch local polarization
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G. Thorner, Jean-Michel Kiat, Christine Bogicevic, I. Kornev
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89, pp.220103. ⟨10.1103/physRevB.89.220103⟩
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Phase transitions in [001]-oriented morphotropic PbZr0.52Ti0.48O3 thin film deposited onto SrTiO3-buffered Si substrate
auteur
Y. Shi, M. Cueff, G. Niu, G. Le Rhun, B. Vilquin, G. Saint Girons, R. Bachelet, B. Gauthier, Y. Robach, P. Gemeiner, N. Guiblin, E. Defay, B. Dkhil
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Journal of Applied Physics, 2014, 115, pp.214108. ⟨10.1063/1.4881818⟩
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An 85 nm-thick morphotropic PbZr0.52Ti0.48O3 (PZT) film grown epitaxially and [001]-oriented onto a .....
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The intermediate temperature T* revealed in relaxor polymers
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Liu B.L., B.B. Tian, S Geiger, Z.G. Hu, Zhao X.L., Y.H. Zou, J.L. Wang, J.L. Sun, Sun S., B. Dkhil, X.J. Meng, J.H. Chu
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Applied Physics Letters, 2014, 104, pp.222907. ⟨10.1063/1.4881268⟩
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The temperature dependence of the dielectric and optical properties, crystal structure, and infrared .....
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A statistical approach of the thermodynamic properties of UO2 at high temperature
auteur
Gianguido Baldinozzi, Lionel Desgranges, Claude Petot
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Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2014, 327, pp.68-73. ⟨10.1016/j.nimb.2013.10.096⟩
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A statistical physics approach is used to calculate the thermodynamic functions of uranium dioxide a .....
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First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments
auteur
Maxime Deutsch, Béatrice Gillon, N. Claiser, J.M. Gillet, Claude Lecomte, Mohamed Souhassou
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International Union of Crystallography journal, 2014, 1 Part 3, pp.194-199. ⟨10.1107/S2052252514007283⟩
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Since the 1980s it has been possible to probe crystallized matter, thanks to X-ray or neutron scatte .....
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Giant room-temperature barocaloric effect and pressure-mediated electrocaloric effect in BaTiO3 single crystal
auteur
Yehan Liu, J. Wei, P.-E. Janolin, I.C. Infante, X. Lou, B. Dkhil
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Applied Physics Letters, 2014, 104, pp.162904. ⟨10.1063/1.4873162]⟩
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Barocaloric effect in BaTiO3 single crystal is studied by a thermodynamic phenomenological model. It .....
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Role of Zinc and Niobium in the Giant Piezoelectric Response of PbZn1/3Nb2/3O3
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Ali Al-Zein, Hichem Dammak, Philippe Papet, Olivier Mathon, Bernard Hehlen, Claire Levelut, Julien Haines, Jerome Rouquette
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Inorganic Chemistry, 2014, 53 (8), pp.3985. ⟨10.1021/ic402409f⟩
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Relaxor ferroelectric perovskites are highly polarizable and can exhibit giant coupling between elas .....
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Rayleigh-like nonlinear dielectric response and its evolution during electrical fatigue in antiferroelectric (Pb,La)(Zr,Ti)O3 thin film
auteur
Z. Luo, X. Lou, F. Zhang, Yehan Liu, D. Chang, C. Liu, Q. Liu, B. Dkhil, X. Ren, H. He
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Applied Physics Letters, 2014, 104, pp.142904. ⟨10.1063/1.4870992⟩
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The Rayleigh-like nonlinear dielectric response and its evolution during electrical fatigue were sys .....
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Classical to Quantum Transition of Heat Transfer between Two Silica Clusters
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S. Xiong, K. Yang, A. Kosevich, Y. Chalopin, R. d'Agosta, P. Cortona, S. Volz
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Physical Review Letters, 2014, 112, pp.114301. ⟨10.1103/PhysRevLet.112.114301⟩
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Heat transfer between two silica clusters is investigated by using the nonequilibrium Green's functi .....
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Effective electron displacements: A tool for time-dependent density functional theory computational spectroscopy
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C.A. Guido, P. Cortona, C. Adamo
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Journal of Chemical Physics, 2014, 140, pp.104101. ⟨10.1063/1.4867007⟩
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We extend our previous definition of the metric !r for electronic excitations in the framework of th .....
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Giant electrocaloric effect in asymmetric ferroelectric tunnel junctions at room temperature
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Yehan Liu, I.C. Infante, X. Lou, B. Dkhil
article
Applied Physics Letters, 2014, 104, pp.082901. ⟨10.1063/1.4866272⟩
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Room-temperature electrocaloric properties of Pt/BaTiO3/SrRuO3 ferroelectric tunnel junctions (FTJs) .....
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Amplitude Higgs mode in the 2H-NbSe2 superconductor
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Marie-Aude Measson, Yann Gallais, Maximilien Cazayous, Bertrand Clair, Pierre Rodiere, Laurent Cario, Alain Sacuto
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89 (6), pp.060503. ⟨10.1103/PhysRevB.89.060503⟩
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Phase Behavior and Relative Stability of Malonamide Polymorphs
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Yohann Corvis, N. Guiblin, Philippe Espeau
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Journal of Physical Chemistry B, 2014, 118, pp.1925-1931. ⟨10.1021/jp409797k⟩
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The three known polymorphs of malonamide have been characterized by thermal analysis and X-ray powde .....
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Electric-field control of magnetic order above room temperature
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R.O. Cherifi, V. Ivanovskaya, L.C. Phillips, A. Zobelli, I.C. Infante, E. Jacquet, V. Garcia, S. Fusil, P.R. Briddon, N. Guiblin, A. Mougin, A.A. Unal, F. Kronast, S. Valencia, B. Dkhil, A. Barthelemy, M. Bibes
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Nature Materials, 2014, pp.nmat3870. ⟨10.1038/NMAT3870⟩
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Controlling magnetism by means of electric fields is a key issue for the future development of low-p .....
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Control of ferroelectricity and magnetism in multi-ferroic BiFeO3 by epitaxial strain
auteur
D. Sando, Arsène Agbelele, Christophe Daumont, D. Rahmedov, W. Ren, I.C. Infante, S. Lisenkov, S. Prosandeev, S. Fusil, E. Jacquet, C. Carretero, S. Petit, M. Cazayous, Jean Juraszek, Jean Marie Le Breton, L. Bellaiche, B. Dkhil, A. Barthelemy, M. Bibes
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Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2014, 13, pp.13. ⟨10.1098/rsta.2012.0438⟩
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Recently, strain engineering has been shown to be a powerful and flexible means of tailoring the pro .....
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Giant mechanically-mediated electrocaloric effect in ultrathin ferroelectric capacitors at room temperature
auteur
Yehan Liu, I.C. Infante, X. Lou, D.C. Lupascu, B. Dkhil
article
Applied Physics Letters, 2014, 104, pp.012907. ⟨10.1063/1.4867456⟩
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Using a phenomenological approach, we demonstrate that a giant mechanically-mediated electrocaloric .....
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Surface enhanced infrared absorption in dielectric thin films with ultra-strong confinement effects
auteur
Yann Chalopin, Marc Hayoun, Sebastian Volz, Hichem Dammak
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Applied Physics Letters, 2014, 104 (1), pp.011905. ⟨10.1063/1.4860989⟩
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By formulating a microscopic description of the non-local dielectric constant, we have investigated .....
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Influence of isotropic and biaxial strain on proton conduction in Y-doped BaZrO3: a reactive molecular dynamics study
auteur
A. Ottochian, G. Dezanneau, C. Gilles, P. Raiteri, C. Knight, J.D. Gale
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Journal of Materials Chemistry A, 2014, 2, pp.3127. ⟨10.1039/c3ta12800h⟩
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Strain has been proposed as a potential tool to increase the oxygen ion conduction in oxides. Here w .....
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Ferroelectric Polymer Nanostructures: Fabrication, Structural Characteristics and Performance Under Confinement
auteur
D. Guo, F. Zeng, B. Dkhil
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Journal of Nanoscience and Nanotechnology, 2014, 14, pp.2086-2100. ⟨10.1166/jnn.2014.9272⟩
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Ferroelectric polymers have recently attracted tremendous research interest due to their potential a .....
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Interplay between pressure and local symmetry in (Pb1-3/2x Lax)(Zr60 Ti40) O3 Emergence of a relaxor state
auteur
Y. Nahas, S. Prokhorenko, I. Kornev
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 90 (18), pp.180102. ⟨10.1103/PhysRevB.90.180102⟩
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This study aims at inquiring into the role of hydrostatic pressure in driving the relaxor behavior w .....
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Non-ergodicity and polar features of the transitional phase in lead zirconate
auteur
R. Faye, H. Liu, Jean-Michel Kiat, Brahim Dkhil, P.-E. Janolin
article
Applied Physics Letters, 2014, 105 (16), ⟨10.1063/1.4899139⟩
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The so-called "intermediate" phase in lead zirconate (PbZrO3) is shown to exhibit a peculiar dielect .....
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New Fe2TiO5-based nanoheterostructured mesoporous photoanodes with improved visible light photoresponses
auteur
Émilie Courtin, G. Baldinozzi, Moulay Tahar Sougrati, Lorenzo Stievano, Clément Sanchez, Christel Laberty
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Journal of Materials Chemistry A, 2014, 2 (18), pp.6567-6577. ⟨10.1039/C4TA00102H⟩
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Triphasic nanocrystalline porous material based Fex-TiO2 anatase, pseudo-brookite and hematite are g .....
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titre
Prediction of giant elastocaloric strength and stress-mediated electrocaloric effect in BaTiO3 single crystals
auteur
Yang Liu, Jie Wei, P.-E. Janolin, Ingrid C. Infante, Jens Kreisel, Xiaojie Lou, Brahim Dkhil
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 90 (10), ⟨10.1103/PhysRevB.90.104107⟩
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An applied stress field sigma(3) can reversibly change the temperature of an elastocaloric material .....
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Oxygen transport kinetics of the misfit layered oxide Ca 3 Co 4 O 9+δ
auteur
V. Thoréton, Y. Hu, C. Pirovano, E. Capoen, N. Nuns, A. Mamede, G. Dezanneau, C. Yoo, H. Bouwmeester, R.N. Vannier
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Journal of Materials Chemistry A, 2014, 2 (46), pp.19717 - 19725. ⟨10.1039/C4TA02198C⟩
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The oxygen transport kinetics of the misfit-layered cobaltite, Ca3Co4O9+δ, known for its thermoelec .....
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titre
Hydrothermal synthesis of ferroelectric mixed potassium niobate-lead titanate nanoparticles
auteur
Thierry Delahaye, Ali Al-Zein, Marie-Hélène Berger, Xavier Bril, Jean-François Hochepied
article
Journal of the American Ceramic Society, 2014, 97, pp.1-9. ⟨10.1111/jace.12778⟩
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Potassium niobate-lead titanate solid-solution nanoparticles have been synthesized using a new hydro .....
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Determination of Oxygen Diffusion Coefficients in La1-xSrxFe1-yGayO3-δ Perovskites Using Oxygen Semi-Permeation and Conductivity Relaxation Methods
auteur
Pierre-Marie Geffroy, Y. Hu, Aurélien Vivet, Thierry Chartier, G. Dezanneau
article
Journal of The Electrochemical Society, 2014, 161 (3), pp.F153-F160. ⟨10.1149/2.003403jes⟩
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This paper reports new evidence that oxygen surface exchange and bulk diffusion in a mixed conductor .....
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Reply to the comment on "orthorhombic to tetragonal structural phase transition in Na0.5K0.5NbO3-based ceramics" by Laijun Liu et al. Materials Letters (2012)
auteur
M.P. Thi, L. Liu, L. Fang, Hichem Dammak
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Materials Letters, 2014, 136, pp.202-204. ⟨10.1016/j.matlet.2014.08.035⟩
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[No abstract available]
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Oxide Ion Transport in Promising Cobaltites for SOC
auteur
Vincent Thoréton, Y. Hu, I. Kehal, X. Flandre, Da Huo, C. Pirovano, A. Rolle, E. Capoen, N. Nuns, A.S. Mamede, G. Dezanneau, R.N. Vannier
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Procedia Engineering, 2014, 98, pp.115 - 120. ⟨10.1016/j.proeng.2014.12.497⟩
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Two cobaltites were studied as air electrodes for Solid Oxide Cells with a Cerium Gadolinium Oxide e .....
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Oxide diffusion in innovative SOFC cathode materials
auteur
Y. Hu, V. Thoréton, C. Pirovano, E. Capoen, Christine Bogicevic, N. Nuns, A.-S. Mamede, G. Dezanneau, R.N. Vannier
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Faraday Discussions, 2014, 176, pp.31 - 47. ⟨10.1039/C4FD00129J⟩
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Oxide diffusion was studied in two innovative SOFC cathode materials, Ba2Co9O14 and Ca3Co4O9+δ deri .....
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titre
Experimental Demonstration of the Carbamazepine Crystallization from Non-photochemical Laser-Induced Nucleation in Acetonitrile and Methanol
auteur
Aziza Ikni, Bertrand Clair, Philippe Scouflaire, S. Veesler, J.M. Gillet, Nouha El Hassan, Françoise Dumas, A. Spasojević-de Biré
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Crystal Growth & Design, 2014, 14 (7), pp.3286-3299. ⟨10.1021/cg500163c⟩
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This paper reports for the first time the crystallization of the carbamazepine (CBZ) molecule in two .....
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titre
Polarization-controlled spin reorientation transition and resistive switching in ferromagnetic-ferroelectric nanostructures and tunnel junctions
auteur
N.A. Pertsev, G Viaud, B Dkhil
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 90, pp.024426. ⟨10.1103/PhysRevB.90.024426⟩
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A spin reorientation transition (SRT) induced in a ferromagnetic nanolayer by the polarization switc .....
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titre
Anomalous properties of antiferroelectric PbZrO 3 under hydrostatic pressure
auteur
S Prosandeev, Changsong Xu, R Faye, Wenhui Duan, H Liu, B Dkhil, P.-E Janolin, Jorgé Iñiguez, L Bellaiche
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89, pp.214111. ⟨10.1103/PhysRevB.89.214111⟩
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First-principles calculations are performed to investigate several low-enthalpy phases of the protot .....
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titre
Giant room-temperature elastocaloric effect in ferroelectric ultrathin films
auteur
Y. Liu, I.C. Infante, X. Lou, L. Bellaiche, J.F. Scott, B. Dkhil
article
Advanced Materials, 2014, 26 (35), pp.6132-6137. ⟨10.1002/adma.201401935⟩
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Environmentally friendly ultrathin BaTiO3 capacitors can exhibit a giant stress-induced elastocalori .....
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A new experimental setup for high-throughput controlled non-photochemical laser-induced nucleation Application to glycine crystallization
auteur
Bertrand Clair, Aziza Ikni, Wenjing Li, P. Scouflaire, V. Quemener, Anne Spasojevic - de Biré
article
Journal of Applied Crystallography, 2014, 47 (4), pp.1252-1260. ⟨10.1107/S160057671401098X⟩
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Synopsis A new experimental setup for a high throughput controlled Non-Photochemical LASER-Induced N .....
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titre
Finite-temperature properties of (BiFeO3)x(BaTiO3)1-x solid solutions
auteur
S. Prokhorenko, Y. Nahas, I. Kornev
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 90 (14), pp.140201. ⟨10.1103/PhysRevB.90.140201⟩
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We use a first-principles based approach to theoretically investigate the room-temperature phase dia .....
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Effect of polarization fatigue on the Rayleigh coefficients of ferroelectric lead zirconate titanate thin films Experimental evidence and implications
auteur
X.J. Lou, H.J. Zhang, Z.D. Luo, F.P. Zhang, Y. Liu, Q.D. Liu, A.P. Fang, B. Dkhil, M. Zhang, X.B. Ren, H.L. He
article
Applied Physics Letters, 2014, 105 (10), pp.102907. ⟨10.1063/1.4895616⟩
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The effect of polarization fatigue on the Rayleigh coefficients of ferroelectric lead zirconate tita .....
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2013

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titre
Structure and magnetism of epitaxial PrVO 3 films
auteur
O. Copie, H. Rotella, P. Boullay, M. Morales, A. Pautrat, P-E Janolin, I. C Infante, D Pravathana, U. Luders, W. Prellier
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Journal of Physics: Condensed Matter, 2013, 25 (49), pp.492201. ⟨10.1088/0953-8984/25/49/492201⟩
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The interplay between charge, spin, orbital and lattice degrees of freedom in transition metal oxide .....
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Assessing the performances of some recently proposed density functionals for the description of organometallic structures
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Eric Brémond, Mahboubeh Poor Kalhor, Diane Bousquet, Pierre Mignon, Ilaria Ciofini, Carlo Adamo, Pietro Cortona, Henry Chermette
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Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2013, 132 (12), pp.UNSP 1401. ⟨10.1007/s00214-013-1401-5⟩
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The performances of a family of recently developed generalized gradient approximation (GGA) function .....
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Enhanced electrocaloric effect in lead-free BaTi 12x Sn x O 3 ceramics near room temperature
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Zhengdong Luo, Dawei Zhang, Yang Liu, Di Zhou, Yonggang Yao, Chenqi Liu, Brahim Dkhil, Xiaobing Ren, Xiaojie Lou
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Applied Physics Letters, 2013, 105, pp.102904. ⟨10.1063/1.4895615]⟩
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The electrocaloric effect in lead-free BaTi 1Àx Sn x O 3 (BTSn, x ¼ 0.08, 0.105, and 0.14) ferroel .....
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Learning about crystal formation
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Anne Spasojevic - de Biré
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International Innovation, 2013, pp.44-46
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Nonlinear Electric Conductivity of Charge Ordered System RFe2O4 (R = Lu, Yb)
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T. Nagata, Y. Fukada, M. Kawai, J. Kano, T. Kambe, E. Dudzik, R. Feyerherm, P.-E. Janolin, Jean-Michel Kiat, N. Ikeda
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Ferroelectrics, 2013, 442 (1), pp.45-49. ⟨10.1080/00150193.2013.773874⟩
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Storing magnetic information in IrMn/MgO/Ta tunnel junctions via field-cooling
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D. Petti, E. Albisetti, H. Reichlova, J. Gàzquez, M. Varela, M. Molina-Ruiz, A. Lopeandía, K. Olejník, V. Novak, I. Fina, Brahim Dkhil, J. Hayakawa, X. Marti, J. Wunderlich, T. Jungwirth, R. Bertacco
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Applied Physics Letters, 2013, 102 (19), pp.192404. ⟨10.1063/1.4804429⟩
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Tunneling junctions containing no ferromagnetic elements have been fabricated and we show that disti .....
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Grazing incidence x-ray diffraction for the study of polycrystalline layers
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David Simeone, Gianguido Baldinozzi, Dominique Gosset, Sophie Le Caer, Jean-François Bérar
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Thin Solid Films, 2013, 530, pp.9-13. ⟨10.1016/j.tsf.2012.07.068⟩
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Different diffraction patterns measured above and below the critical angle for total reflection were .....
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Density functional theory calculations of UO2 oxidation : Evolution of UO2+x, U4O9−y, U3O7, and U3O8.
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David A. Andersson, Gianguido Baldinozzi, Lionel Desgranges, Dylan R. Conradson, Steven D. Conradson
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Inorganic Chemistry, 2013, 52 (5), pp.2769-2778. ⟨10.1021/ic400118p⟩
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Formation of UO2+x derived from the fluorite structure was investigated by density functional theory .....
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A preferred orientation correction to describe a fiber texture under glancing incidence.
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David Simeone, Dominique Gosset, Gianguido Baldinozzi
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Journal of Applied Crystallography, 2013, 46 (1), pp.93-98. ⟨10.1107/S0021889812045736⟩
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Much work is nowadays being devoted to the characterization of the structure and the microstructure .....
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Soft-mode dynamics in micrograin and nanograin ceramics of strontium titanate observed by hyper-Raman scattering
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Bernard Hehlen, A. Al-Zein, Christine Bogicevic, P. Gemeiner, Jean-Michel Kiat
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 87, pp.014303. ⟨10.1103/PhysRevB.87.014303⟩
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The low-frequency vibrations of micro- and nanograin ceramics of strontium titanate are investigated .....
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Structural investigation of strontium titanate nanoparticles and the core-shell model
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Jean-Michel Kiat, Christine Bogicevic, P. Gemeiner, A. Al-Zein, Fabienne Karolak, N. Guiblin, Florence Porcher, Bernard Hehlen, Li. Yedra, S. Estradé, F. Peiro, R. Haumont
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 87 (2), pp.024106. ⟨10.1103/PhysRevB.87.024106⟩
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Nanoparticles of strontium titanate (SrTiO3) have been synthesized in the 15 nm to 1 μm size range .....
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Low-temperature anharmonicity of barium titanate: A path-integral molecular-dynamics study
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Grégory Geneste, Hichem Dammak, Marc Hayoun, Mickael Thiercelin
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 87 (1), ⟨10.1103/PhysRevB.87.014113⟩
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Mesoscale Domains and Nature of the Relaxor State by Piezoresponse Force Microscopy
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V.V. Shvartsman, B. Dkhil, A.L. Kholkin
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Annual Review of Materials Science, 2013, 43, pp.423-449. ⟨10.1146/annurev-matsci-071312-121632⟩
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Ferroelectric relaxors continue to be one of the most mysterious solid-state materials. Since their .....
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Low-temperature relaxor state induced by epitaxial compression in PbSc0.5Nb0.5O3 films
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M. Tyunina, J. Levoska, P.-E. Janolin, A. Dejneka
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 87 (22), ⟨10.1103/PhysRevB.87.224107⟩
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The use of high-performance perovskite-structure epitaxial relaxor ferroelectric films [S. H. Baek e .....
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Vortices of polarization in BaTiO3 core-shell nanoceramics Calculations based on ab initio derived Hamiltonian versus Landau theory
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Mickaël Anoufa, Jean-Michel Kiat, I. Kornev, Christine Bogicevic
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 88 (14), pp.144106. ⟨10.1103/PhysRevB.88.144106⟩
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Large Thermal Conductivity Decrease in Point Defective Bi2Te3 Bulk Material and Superlattices
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Konstantinos Termentzidis, Alex Pokropivny, Michael Woda, Shiyun Xiong, Yuri Chumakov, Pietro Cortona, Sebastian Volz
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Journal of Applied Physics, 2013, 113 (1), ⟨10.1063/1.4772783⟩
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Defective Bi2Te3 structures have been studied with the aim of lowering the thermal conductivity in o .....
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Local symmetry approach to relaxor ferroelectrics
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Y. Nahas, I. Kornev
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EPL - Europhysics Letters, 2013, 103 (3), pp.37013. ⟨10.1209/0295-5075/103/37013⟩
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We propose a theoretical framework based on local gauge symmetries and develop a first-principles-de .....
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Condensation of the Atomic Relaxation Vibrations in Lead-Magnesium-Niobate at T = T
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S. Prosandeev, I.P. Raevski, M.A. Malitskaya, S.I. Raevskaya, H. Chen, C.-C. Chou, B. Dkhil
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Journal of Applied Physics, 2013, 114 (12), ⟨10.1063/1.4821772⟩
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Crafting the Magnonic and Spintronic Response of BiFeO 3 Films by Epitaxial Strain
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D. Sando, Arsène Agbelele, D. Rahmedov, J. Liu, P. Rovillain, C. Toulouse, I.C. Infante, A.P. Pyatakov, S. Fusil, E. Jacquet, C. Carrétéro, C. Deranlot, S. Lisenkov, D. Wang, Jean Marie Le Breton, M. Cazayous, A. Sacuto, Jean Juraszek, A.K. Zvezdin, L. Bellaiche, B. Dkhil, A. Barthélémy, M. Bibes
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Nature Materials, 2013, 12 (7), pp.641-646. ⟨10.1038/nmat3629⟩
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Multiferroics are compounds that show ferroelectricity and magnetism. BiFeO 3, by far the most studi .....
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Electron Properties of Carbamazepine Drug in Form III
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Nouha El Hassan, Aziza Ikni, Jean-Michel Gillet, Anne Spasojevic-de Bire, Nour Eddine Ghermani
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Crystal Growth & Design, 2013, 13 (7), pp.2887-2896. ⟨10.1021/cg4002994⟩
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The experimental electron and electrostatic properties of carbamazepine drug molecule (form III) wer .....
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Guest Editors Note
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B. Dkhil, E. Salje, K. Roleder
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Phase Transitions, 2013, 86 (11), pp.1051. ⟨10.1080/01411594.2013.856102⟩
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An attempt to handle the nanopatterning of materials created under ion beam mixing
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David Simeone, Gianguido Baldinozzi, Didier Gosset, Gilles Demange, Y. Zhang, Laurence Lunéville
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Materials Research Society Symposia Proceedings, 2013, 1514, pp.49-58. ⟨10.1557/opl.2013.449⟩
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In the past fifty years, experimental works based on TEM or grazing incidence X ray diffraction have .....
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Energy harvesting in core-shell ferroelectric ceramics Theoretical approach and practical conclusions
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Mickaël Anoufa, Jean-Michel Kiat, I. Kornev, Christine Bogicevic
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Journal of Applied Physics, 2013, 113 (5), pp.054104. ⟨10.1063/1.4789804⟩
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Ab initio Calculation and Measurements of V2O5 Film Thermoelectric Properties
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Yurii Chumakov, S.-Y. Xiong, Javier Santos, Isabel Ferreira, K. Termentzidis, Alex Pokropivny, Pietro Cortona, Sebastian Volz
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Journal of Electronic Materials, 2013, 42 (7), pp.1597-1603. ⟨10.1007/s11664-012-2329-6⟩
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Density functional theory and the Boltzmann transport equation were used to calculate the thermoelec .....
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Field-Induced Percolation of Polar Nanoregions in Relaxor Ferroelectrics
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S. Prosandeev, D. Wang, A.R. Akbarzadeh, B. Dkhil, L. Bellaiche
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Physical Review Letters, 2013, 110 (20), ⟨10.1103/PhysRevLett.110.207601⟩
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A first-principles-based effective Hamiltonian is used to investigate low-temperature properties of .....
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Dielectric properties and phase transitions of [001], [110], and [111] oriented Pb(Zn1/3Nb2/3)O3-6%PbTiO3 single crystals
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M. Amin Hentati, Hichem Dammak, H. Khemakhem, M. Pham Thi
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Journal of Applied Physics, 2013, 113 (24), pp.244104. ⟨10.1063/1.4812327⟩
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Phase transformations of [001], [110], and [111] oriented Pb(Zn 1/3Nb2/3)O3-6%PbTiO3 (PZN-6%PT) sing .....
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An attempt to handle the nanopatterning of materials created under ion beam mixing
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David Simeone, Laurence Lunéville, Gianguido Baldinozzi
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MRS Online Proceedings Library, 2013, 1514, pp.49
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In the past fifty years, experimental works based on TEM or grazing incidence X ray diffraction have .....
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Preparation and characterization of In-substituted BaSnO3 compounds
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Yanzhong Wang, Anthony Chesnaud, Emile Bévillon, Jin Huang, Jinlong Yang
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Functional Materials Letters, 2013, 6, ⟨10.1142/S1793604713500410⟩
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In-substituted BaSnO 3 (BaSn 1Àx In x O 3Àδ , x ¼ 0:125, 0.25 and 0.50) compounds were prepared .....
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Effect of a Built-in Electric Field in Asymmetric Ferroelectric Tunnel Junctions
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Y. Liu, X. Lou, M. Bibes, B. Dkhil
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 88 (2), ⟨10.1103/PhysRevB.88.024106⟩
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2012

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titre
Pressure-induced phase transitions and structure of chemically ordered nanoregions in the lead-free relaxor ferroelectric Na 1/2Bi 1/2TiO 3
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M. Gröting, I. Kornev, B. Dkhil, K. Albe
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 86 (13), pp.134118. ⟨10.1103/PhysRevB.86.134118⟩
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We investigate the phase stability of Na 1/2Bi 1/2TiO 3, a prototype lead-free relaxor material, und .....
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New insights in structural characterization of zirconium alloys oxidation at high temperature
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Dominique Gosset, Matthieu Le Saux, David Simeone, Didier Gilbon
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Journal of Nuclear Materials, 2012, 429 (1-3), pp.19-24. ⟨10.1016/j.jnucmat.2012.05.003⟩
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Novel complex phenomena in ferroelectric nanocomposites
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Laurence Louis, I. Kornev, G. Geneste, B. Dkhil, L. Bellaiche
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Journal of Physics: Condensed Matter, 2012, 24, pp.402201. ⟨10.1088/0953-8984/24/40/402201⟩
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A first-principles-based effective Hamiltonian is used to investigate finite-temperature properties .....
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Mesoporous alpha-Fe2O3 thin films synthesized via the sol-gel process for light-driven water oxidation
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Wael Hamd, Saioa Cobo, Jennifer Fize, Gianguido Baldinozzi, Wilfrid Schwartz, Maryse Reymermier, Alexandre Pereira, Marc Fontecave, Vincent Artero, Christel Laberty-Robert, Clément Sanchez
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Physical Chemistry Chemical Physics, 2012, 14 (38), pp.13224-13232. ⟨10.1039/c2cp42535a⟩
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This work reports a facile and cost-effective method for synthesizing photoactive alpha-Fe2O3 films .....
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Oxygen diffusion mechanism in the mixed ion-electron conductor NdBaCo2O5+x†
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Y. Hu, Olivier Hernandez, T. Broux, Mona Bahout, J. Hermet, Alistar Ottochian, C. Ritter, G. Geneste, G. Dezanneau
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Journal of Materials Chemistry, 2012, 22, pp.18744. ⟨10.1039/c2jm34396g⟩
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Double perovskite cobaltites were recently presented as promising cathode materials for solid oxide .....
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Multiferroics by Rational Design: Implementing Ferroelectricity in Molecule-Based Magnets
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Emilio Pardo, Cyrille Train, Hongbo Liu, Lise-Marie Chamoreau, Brahim Dkhil, Kamal Boubekeur, Francesc Lloret, Keitaro Nakatani, Hiroko Tokoro, Shin-Ichi Ohkoshi, Michel Verdaguer
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Angewandte Chemie International Edition, 2012, 51 (33), pp.8356--8360. ⟨10.1002/anie.201202848⟩
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Multiferroic materials: A novel class of multiferroics based on organic–inorganic hybrid materials .....
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Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data
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M. Deutsch, N. Claiser, S. Pillet, Y. Chumakov, Pierre J. Becker, J.M. Gillet, B. Gillon, C. Lecomte, M. Souhassou
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Acta Crystallographica Section A : Foundations of Crystallography [1968-2013], 2012, 68, pp.675-686. ⟨10.1107/s0108767312031996⟩
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New crystallographic tools were developed to access a more precise description of the spin-dependent .....
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Size-dependent infrared properties of MgO nanoparticles with evidence of screening effect
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Y. Chalopin, H. Dammak, M. Hayoun, Mondher Besbes, Jean-Jacques Greffet
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Applied Physics Letters, 2012, 100, pp.241904. ⟨10.1063/1.4729384⟩
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We have investigated the infrared (IR) absorption properties of MgO nanoparticles (NPs) with the mea .....
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High-temperature ferroic phase transitions and paraelectric cubic phase in multiferroic Bi0.951dFe0.9Zr0.1O3
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Wei Jie, R. Haumont, R. Jarrier, P. Berthet, B. Dkhil
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Journal of Applied Physics, 2012, 111, pp.114106. ⟨10.1063/1.4729484⟩
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The temperature-dependent phase transitions of Bi0.95þdFe0.9Zr0.1O3 have been studied using hightem .....
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Photoexcitation of gigahertz longitudinal and shear acoustic waves in BiFeO3 multiferroic single crystal
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P. Ruello, Thomas Pezeril, S. Avanesyan, G. Vaudel, Vitali Goussev, I.C. Infante, B. Dkhil
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Applied Physics Letters, 2012, 100, pp.212906. ⟨10.1063/1.4719069⟩
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Using femtosecond laser pulses, coherent GHz acoustic phonons are efficiently photogenerated and pho .....
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Thermodynamics of hydration and oxidation in the proton conductor Gd-doped barium cerate from density functional theory calculations
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J. Hermet, F. Bottin, G. Dezanneau, G. Geneste
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85, pp.205137. ⟨10.1103/PhysRevB.85.205137⟩
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Hydration and oxidation of gadolinium-doped barium cerate, a system with highly promising properties .....
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Surface phase transitions in BiFeO3 below room temperature
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R. Jarrier, X. Marti, J. Herrero-Albillos, P. Ferrer, R. Haumont, P. Gemeiner, G. Geneste, P. Berthet, T. Schulli, P. Cevc, R. Blinc, Stanislaus S. Wong, T.J. Park, Marin Alexe, M.A. Carpenter, J.F. Scott, G. Catalan, B. Dkhil
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85 (18), pp.184104. ⟨10.1103/PhysRevB.85.184104⟩
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Role of Antisite Disorder on Preamorphization Swelling in Titanate Pyrochlores
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Y. H. Li, Blas Uberuaga, C. Jiang, S. Choudhury, James Valdez, M. K. Patel, J. Won, Y. Q. Wang, Ming Tang, D. J. Safarik, D.D. Byler, Ken Mcclellan, Igor Usov, Thomas Hartmann, Gianguido Baldinozzi, Kurt Sickafus
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Physical Review Letters, 2012, 108 (19), pp.195504. ⟨10.1103/PhysRevLett.108.195504⟩
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Ion irradiation experiments and atomistic simulations were used to demonstrate that irradiation-indu .....
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Octahedral tilting in strained LaVO3 thin films
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H. Rotella, U. Luders, P.E. Janolin, V.H. Dao, D. Chateigner, R. Feyerherm, E. Dudzik, W. Prellier
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85, pp.184101. ⟨10.1103/PhysrevB.85.184101⟩
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The effect of biaxial strain on the oxygen octahedra rotations in a LaVO3 thin film is investigated .....
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Giant magnetocapacitance of strained ferroelectric-ferromagnetic hybrids
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N. Pertsev, S. Prokhorenko, B. Dkhil
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85, pp.134111. ⟨10.1103/PhysRevB.85.13411⟩
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We report a theoretical calculation of the strain-mediated magnetocapacitance of ferroelectric-ferro .....
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Synthesis dependent characteristics of Sr1-xMnxTiO3 (x=0.03, 0.05, 0.07 and 0.09)
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Preethi K.R.S. Meher, Christine Bogicevic, P.E. Janolin, K. B. R. Varma
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Journal of Solid State Chemistry, 2012, 192, pp.296-304. ⟨10.1016/j.jssc.2012.04.013⟩
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titre
New life of a forgotten method: Electrochemical route toward highly efficient Pt/C catalysts for low-temperature fuel cells
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I.N. Leontyev, A. Kuriganova, Y. Kudryavtsev, B. Dkhil, N. Smirnova
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Applied Catalysis A : General, 2012, 431-432, pp.120-125. ⟨10.1016/j.apcata.2012.04.025⟩
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Driven by global environmental concerns, great efforts are currently made to develop novel, cheap an .....
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How polarons can enhance UO2 irradiation resistance?
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Lionel Desgranges, Gianguido Baldinozzi, Pascal Ruello, Claude Petot
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Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2012, 227, pp.109-111. ⟨10.1016/j.nimb.2011.12.046⟩
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UO2 has a specific behaviour at high temperature related to a high concentration of charged defects, .....
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Giant direct magnetoelectric effect in strained multiferroic heterostructures
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P.E. Janolin, N.A. Pertsev, D. Shichuga, L. Bellaiche
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85, pp.140401. ⟨10.1103/PhysRevB.85.140401⟩
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Strain dependence of polarization and piezoelectric response in epitaxial BiFeO3 thin films
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Christophe Daumont, W. Ren, I.C. Infante, S. Lisenkov, J. Allibe, C. Carretero, S. Fusil, E. Jacquet, T. Bouvet, F. Bouamrane, S. Prosandeev, G. Geneste, B. Dkhil, L. Bellaiche, A. Barthelemy, M. Bibes
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Journal of Physics: Condensed Matter, 2012, 24, pp.162202. ⟨10.1088/0953-8984/24/16/162202⟩
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Magnetodielectric effect and phonon properties of compressively strained EuTiO 3 thin films deposited on (001)(LaAlO 3) 0.29-(SrAl 1/2Ta 1/2O 3) 0.71
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S. Kamba, V. Goian, M. Orlita, D. Nuzhnyy, J.H. Lee, D.G. Schlom, K.Z. Rushchanskii, M. Leaaić, T. Birol, C.J. Fennie, P. Gemeiner, B. Dkhil, V. Bovtun, M. Kempa, J. Hlinka, J. Petzelt
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85 (9), pp.094435. ⟨10.1103/PhysRevB.85.094435⟩
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Compressively strained epitaxial (001) EuTiO 3 thin films of tetragonal symmetry have been deposited .....
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Probing Properties, Stability, and Performances of Hierarchical Mesoporous Materials with Nanoscale Interfaces
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Gianguido Baldinozzi, Guillaume Muller, Christel Laberty-Robert, Dominique Gosset, David Simeone, Clément Sanchez
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Journal of Physical Chemistry C, 2012, 116 (14), pp.7658-7663. ⟨10.1021/jp211872z⟩
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Nanocrystals growth mechanism embedded into mesoporous thin films has been determined directly from .....
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Generalized gradient exchange functionals based on the gradient-regulated connection: a new member of the TCA family
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Eric Brémond, D. Pilard, I. Ciofini, Henry Chermette, C. Adamo, P. Cortona
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Theoretica Chimica Acta, 2012, 131, pp.1184. ⟨10.1007/S00214-012-1184-0⟩
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A new type of generalized gradient approximation exchange functional coupled with the TCA correlatio .....
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Dielectric characteristic of nanocrystalline Na0.5K0.5NbO3 ceramic green body
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Laijun Liu, Huiqing Fang, Liang Fang, Hichem Dammak, Maï Pham-Thi
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Journal of Electroceramics, 2012, 28, pp.144-148. ⟨10.1007/s10832-012-9695-6⟩
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Dielectric spectroscopy was applied to porous nanocrystalline Na0.5K0.5NbO3 (NKN) ceramic green body .....
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Note: Theoretical mixing coefficients for hybrid functionals
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P. Cortona
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Journal of Chemical Physics, 2012, 136, pp.086101. ⟨10.1063/1.3690462⟩
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The theoretical foundations of the double hybrid exchange-correlation functionals have been recently .....
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A comparative Raman study of 0.65(PbMg1/3Nb2/3O3) -0.35(PbTiO3) single crystal and thin film
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Houssny Bouyanfif, Mimoun El Marssi, Nathalie Lemee, Françoise Le Marrec, Michael G. Karkut, B. Dkhil, Y.Y. Yuzyuk
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The European Physical Journal B: Condensed Matter and Complex Systems, 2012, 85, pp.35. ⟨10.1140/epjb/e2011-20484-3⟩
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We report a comparative Raman study of 0.65(PbMg1/3Nb2/3O3)-0.35(PbTiO3) (PMN-0.35PT) single crystal .....
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Ferroelectric phase transition in strained multiferroic (Bi0.9La0.1)2NiMnO6 thin films
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E. Langenberg, I. Fina, P. Gemeiner, B. Dkhil, M. Varela, J. Fontcuberta
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Applied Physics Letters, 2012, 100, pp.022902. ⟨10.1063/1.3675869⟩
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We report here temperature-dependent x-ray structural and Raman spectroscopy data, on the ferromagne .....
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Is UO2 irradiation resistance due to its unusual high temperature behaviour?
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Lionel Desgranges, Gianguido Baldinozzi, P. Ruello, Claude Petot
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Journal of Nuclear Materials, 2012, 420, pp.334-337. ⟨10.1016/j.jnucmat.2011.10.003⟩
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Explaining and predicting the radiation resistance of structural and functional materials is a prima .....
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Effects of biaxial strain on bulk 8% yttria-stabilised zirconia ion conduction through molecular dynamics
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G. Dezanneau, J. Hermet, B. Dupé
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International Journal of Hydrogen Energy, 2012, 37, pp.8081-8086. ⟨10.1016/j.ijhydene.2011.11.088⟩
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Tensile strain is thought to give rise to enhanced conduction properties in ion conducting compounds .....
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Decomposition behavior of the NaH2 (PO4)0.48(AsO4)0.52 H2O compound above room temperature shown by the study of Raman X- ray powder and ac-conductivity
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Kh. Jarraya, N. Guiblin, T. Mhiri, N.E. Ghermani
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Materials Science and Engineering, 2012, 28, pp.012046. ⟨10.1088/1757-_ççX/28/1/012046⟩
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The mixed compound NaH2(PO4)0.48(AsO4)0.52.H2O, which has been examined by Raman spectroscopy, XRD p .....
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New range-separated hybrids based on the TCA density functional
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J. Hermet, P. Cortona, C. Adamo
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Chemical Physics Letters, 2012, 519-520, pp.145-149. ⟨10.1016/j.cplett.2011.11.027⟩
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We have applied the Hirao and coworkers' range-separation procedure to the recently proposed (GGAlik .....
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Simulations of REBaCo2O5.5 (RE_Gd, La, Y) cathode materials through energy minimisation and molecular dynamics
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J. Hermet, B. Dupé, G. Dezanneau
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Solid State Ionics, 2012, 216, pp.50-53. ⟨10.1016/j.ssi.2011.11.006⟩
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The GdBaCo2O5+x oxide has been presented as a promising cathode material for solid oxide fuel cells. .....
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Pinhole-free YSZ self-supported membranes for micro solid oxide fuel cell applications
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I. Garbayo, G. Dezanneau, Christine Bogicevic, J. Santiso, I. Gracia, N. Sabaté, A. Tarancon
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Solid State Ionics, 2012, 216, pp.64-68. ⟨10.1016/j.ssi.2011.09.011⟩
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Yttria-stabilized zirconia thin films for micro solid oxide fuel cell applications were grown by pul .....
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Orthorhombic to tetragonal structural phase transition in Na0.5K0.5NbO3-based ceramics
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Laijun Liu, Yanmin Huang, Yunhua Li, Liang Fang, Hichem Dammak, Huiqing Fan, Maï Pham-Thi
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Materials Letters, 2012, 68, pp.300-302. ⟨10.1016/j.matlet.2011.10.103⟩
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We report the temperature-dependent x-ray powder diffraction of the Na0.5K0.5NbO3 (NKN)-based piezoe .....
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Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulations
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Hichem Dammak, Ekaterina Antoshchenkova, Marc Hayoun, Fabio R.D. Finocchi
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Journal of Physics: Condensed Matter, 2012, 24, pp.435402. ⟨10.1088/0953-8984/24/43/435402⟩
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Molecular dynamics (MD) simulations have been carried out to study isotope effects in lithium hydrid .....
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Properties of Y-doped BaSnO3 proton conductors
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Yanzhong Wang, Anthony Chesnaud, Emile Bévillon, Guilhem Dezanneau
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Solid State Ionics, 2012, 214, pp.45-55. ⟨10.1016/j.ssi.2012.02.45⟩
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In this work, we present a complete study of BaSn1−xYxO3−δ (x=0-0.50) compounds putting emphasi .....
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Raman spectrum of U4O9: a new interpretation of damage lines in UO2
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Lionel Desgranges, G. Baldinozzi, Patrick Simon, G. Guimbretiere, A. Canizares
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Journal of Raman Spectroscopy, 2012, 43, pp.455-458. ⟨10.1002/jrs.3054⟩
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Characterisation of uranium oxides in different conditions is a challenge both in nuclear and enviro .....
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Experimental and database-transferred electron-density analysis and evaluation of electrostatic forces in coumarin-102 dye
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Yvon Bibila Mayaya Bisseyou, Nouhza Bouhmaida, Benoit Guillot, Claude Lecomte, Noël Lugan, Noureddine Ghermani, Christian Jelsch
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Acta Crystallographica Section B : Structural Science [1968-2013], 2012, 68 (6), pp.646-660. ⟨10.1107/S0108768112042826⟩
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The electron-density distribution of a new crystal form of coumarin-102, a laser dye, has been inves .....
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A simple law governing coupled magnetic orders in perovskites
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L. Bellaiche, Z. Gui, I.A. Kornev
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Journal of Physics: Condensed Matter, 2012, 24 (31), pp.312201. ⟨10.1088/0953-8984/24/31/312201⟩
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An energetic expression containing four different macroscopic terms is proposed to explain and under .....
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Oxidation and diffusion processes at the Mn-doped Fe(001) and Fe(110) surfaces from first-principles
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Si Chen, Marie-Laurence Giorgi, Jean-Bernard Guillot, Grégory Geneste
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Applied Surface Science, 2012, 258 (22), pp.8613-8618. ⟨10.1016/j.apsusc.2012.05.060⟩
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Using density-functional calculations, we have studied the adsorption of atomic oxygen on the Fe(001 .....
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Ferroelectricity and Ferrimagnetism of Hexagonal YbFeO3 Thin Films
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Hayato Iida, Takuro Koizumi, Yoshiaki Uesu, Kay Kohn, Naoshi Ikeda, Shigeo Mori, Raphael Haumont, P.-E. Janolin, Jean-Michel Kiat, Mamoru Fukunaga, Yukio Noda
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Journal of the Physical Society of Japan, 2012, 81 (2), ⟨10.1143/JPSJ.81.024719⟩
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The coexistence of ferroelectricity and magnetic order in epitaxial hexagonal YbFeO3 (h-YbFeO3) thin .....
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Atomic control of strain in freestanding graphene
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P. Xu, Y. Yang, S.D. Barber, M.L. Ackerman, J.K. Schoelz, D. Qi, I.A. Kornev, L. Dong, L. Bellaiche, S. Barraza-Lopez, P.M. Thibado
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85 (12), pp.121406. ⟨10.1103/PhysRevB.85.121406⟩
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In this study, we describe an experimental approach based on constant-current scanning tunneling spe .....
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Enhanced electric conductivity at ferroelectric vortex cores in BiFeO 3
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S.V. Kalinin, N. Balke, B. Winchester, W. Ren, Y.H. Chu, A.N. Morozovska, E.A. Eliseev, M. Huijben, R.K. Vasudevan, P. Maksymovych, J. Britson, S. Jesse, I. Kornev, R. Ramesh, L. Bellaiche, L.Q. Chen
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Nature Physics, 2012, 8 (1), pp.81-88. ⟨10.1038/nphys2132⟩
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Topological defects in ferroic materials are attracting much attention both as a playground of uniqu .....
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2011

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Probing Strain and Microstrain in Nanostructured Thin Layers
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David Simeone, Gianguido Baldinozzi, Dominique Gosset, Jean-François Bérar
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Materials Research Society Symposia Proceedings, 2011, Symposium SS – Properties and Processes at the Nanoscale Nanomechanics of Material Behavior, 1424, pp.15-43. ⟨10.1557/opl.2012.717⟩
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The analysis of the structures and microstructures of nanostructured thin layers can be performed us .....
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Effect of the capping on the local Mn oxidation state in buried (001) and (110) SrTiO3/La2/3Ca1/3MnO3 interfaces
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S. Estradé, J.M. Rebled, M. Walls, F. de La Pena, C. Colliex, C. Cordoba, I.C. Infante, G. Herranz, F. Sanchez, J. Fontcuberta, F. Peiro
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Journal of Applied Physics, 2011, 110, pp.103903. ⟨10.1063/1.3660786⟩
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The electronic stability of (001) and (110) surfaces of La2/3Ca1/3MnO3 (LCMO) capped with nanometric .....
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Rietveld refinements performed on mesoporous ceria layers at grazing incidence
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David Simeone, Gianguido Baldinozzi, Dominique Gosset, Gilbert Zalczer, Jean-François Bérar
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Journal of Applied Crystallography, 2011, 44 (6), pp.1205-1210. ⟨10.1107/S0021889811042294⟩
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Seven diffraction patterns were collected on a 100 nm Gd-doped ceria layer deposited on a silicon wa .....
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Multiple high-pressure phase transitions in BiFeO3
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M. Guennou, P. Bouvier, G. S.Chen, B. Dkhil, R. Haumont, Gaston Garbarino, Jens Kreisel
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84, pp.174107. ⟨10.1103/PhysRevB.84.174107⟩
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Multiferroic Phase Transition near Room Temperature in BiFeO3 Films
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I. Infante, Jean Juraszek, S. Fusil, B. Dupé, P. Gemeiner, O. Diéguez, F. Pailloux, Samuel Jouen, E. Jacquet, G. Geneste, J. Pacaud, J. Iñiguez, L. Bellaiche, A. Barthelemy, B. Dkhil, M. Bibes
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Physical Review Letters, 2011, 107 (23), ⟨10.1103/PhysRevLett.107.237601⟩
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Comment on “Quantum thermal bath for molecular dynamics simulation” reply
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Hichem Dammak, Marc Hayoun, Yann Chalopin, Jean-Jacques Greffet
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Physical Review Letters, 2011, 107 (19), ⟨10.1103/PhysRevLett.107.198902⟩
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A Reply to the Comment by Alexandre H. Barrozo and Maurice de Koning.
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Competing order parameters in the Pb(Zr1−xTix)O3 solid solution at high pressure
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Guillaume Fraysse, Ali Al-Zein, Julien Haines, Jérôme Rouquette, Véronique Bornand, Philippe Papet, Christine Bogicevic, Steve Hull
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84, pp.144110. ⟨10.1103/PhysRevB.84.144110⟩
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Perovskite-type ferroelectric Pb(Zr1−xTix)O3 (x = 0.3; 0.4) compounds were investigated at high pr .....
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High Proton Conduction in a Chiral Ferromagnetic Metal\textendashOrganic Quartz-like Framework
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Emilio Pardo, Cyrille Train, Geoffrey Gontard, Kamal Boubekeur, Oscar Fabelo, Hongbo Liu, Brahim Dkhil, Francesc Lloret, Kosuke Nakagawa, Hiroko Tokoro, Shin-Ichi Ohkoshi, Michel Verdaguer
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Journal of the American Chemical Society, 2011, 133 (39), pp.15328--15331. ⟨10.1021/ja206917z⟩
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A complex-as-ligand strategy to get a multifunctional molecular material led to a metal–organic fr .....
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Geometric resonances in far-infrared reflectance spectra of PbTiO(3) ceramics
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J. Hlinka, E. Simon, Christine Bogicevic, Fabienne Karolak, P.E. Janolin
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84 (9), pp.092104. ⟨10.1103/physRevB.84.092104⟩
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The complex dielectric permittivity of PbTiO(3) ceramics in the THz frequency range has been investi .....
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Phase Transitions in Epitaxial ( 110) BiFeO3 Films from First Principles
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S. Prosandeev, I. A. Kornev, L. Bellaiche
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Physical Review Letters, 2011, 107 (11), pp.117602. ⟨10.1103/PhysRevLett.107.117602⟩
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The effect of misfit strain on properties of epitaxial BiFeO3 films that are grown along the pseudoc .....
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Crystallographic Statistical Study of Decavanadate Anion Based-Structures: Toward a Prediction of Noncovalent Interactions
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N. Bosnjakovic - Pavlovic, Josselin Prevost, A. Spasojevic-De-Biré
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Crystal Growth & Design, 2011, 11 (9), pp.3778-3789. ⟨10.1021/cg200236d⟩
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Joint densities and density matrices refinements: first attempts and first results
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P. Becker, J. -M. Gillea, M. Deutsh, N. Claiser, M. Souhassou, B. Gillon, Y. Ciumacov, S. Pillet, C. Lecomte, P. Cortona, D. Luneau, A. Bortha
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Acta Crystallographica Section A : Foundations of Crystallography [1968-2013], 2011, 67 (a1), pp.C100-C100. ⟨10.1107/S0108767311097558⟩
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Although analysis of joint experimental data as diverse as x-rays structure factors, polarized neutr .....
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BiFeO3 Films under Tensile Epitaxial Strain from First Principles
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B. Dupé, S. Prosandev, G. Geneste, B. Dkhil, L. Bellaiche
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Physical Review Letters, 2011, 106, pp.237601. ⟨10.1103/PhysRevLett.106.237601⟩
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Density-functional calculations are performed to predict structural and magnetic properties of (001) .....
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Catalytic activity of carbon supported Pt nano(electrocatalysts. Why reducing the size of Pt nanoparticles is not always beneficial
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I.N. Leontyev, S.V. Belenov, V.E. Guterman, P. Haghi-Ashtiani, A.P. Shaganov, B. Dkhil
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Journal of Physical Chemistry C, 2011, 115 (13), pp.5429-5434. ⟨10.1021/jp1109477⟩
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Carbon-supported Pt catalysts prepared by the impregnation method in water - dimethyl sulfoxide (DMS .....
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Surface Domain Structures and Mesoscopic Phase Transition in Relaxor Ferroelectrics
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A. Kholin, A. Morozovska, D. Kiselev, I. K. Bdikin, B. Rodriguez, P. Wu, A. Bokov, Z.G Ye, B. Dkhil, L.Q. Chen, M. Kosec, S.V. Kalinin
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Advanced Functional Materials, 2011, XX, pp.1-11. ⟨10.1002/adfm.201002582⟩
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Relaxor ferroelectrics are a prototypical example of ferroic systems in which interplay between atom .....
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Ferroic phase transition sequence in epitaxial BiFeO3 thin films
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Françoise Le Marrec, H. Toupet, C. Lichtensteiger, B. Dkhil, Michael G. Karkut
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Phase Transitions, 2011, 84, pp.453. ⟨10.1080/014194.2010.549382⟩
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We report a temperature-dependent high-resolution X-ray diffraction investigation of 200nm epitaxial .....
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Structural transition in LaVO3/SrVO3 superlattices and its influence on transport properties
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A. David, R. Fresard, W. Prellier, U. Luders, P.-E. Janolin
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Applied Physics Letters, 2011, 98 (21), pp.212106. ⟨10.1063/1.3593489⟩
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Measurements of the resistive properties and the lattice parameters of a (LaVO3)[6 unit cells]/(SrVO .....
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titre
Misregulation of auxin response factor 8 underlies the developmental abnormalities caused by three distinct viral silencing supressors in Arabidopsis
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F. Jay, Y. Wang, A. Yu, Ludivine Taconnat, Sandra Pelletier, Vincent Colot, Jean-Pierre Renou, O. Voinnet
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PLoS Pathogens, 2011, 7 (5), pp.e1002035. ⟨10.1371/journal.ppat.1002035⟩
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In Arabidopsis, micro (mi)RNAs and trans-acting (ta-si)RNAs synthesized directly or indirectly throu .....
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Imaging Doped Holes in a Cuprate Superconductor with High-Resolution Compton Scattering
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Y. Sakurai, M. Itou, B. Barbiellini, P.E Mijnarends, R. S. Markiewicz, S. Kaprzyk, J.M. Gillet, S. Wakimoto, M. Fujita, S. Basak, J.W. Wang, W. Al-Sawai, H. Lin, H. Bansil, K. Yamada
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Science, 2011, 332, pp.698. ⟨10.1126/science.1199391⟩
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The high-temperature superconducting cuprate La2−xSrxCuO4 (LSCO) shows several phases ranging from .....
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Dielectric relaxation in Li-doped KTaO3 studied by kinetic Monte Carlo
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G. Geneste, Jean-Michel Kiat, Y. Yokota, Y. Uesu
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 83, pp.184202. ⟨10.1103/PhysRevB.83.184202⟩
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Oxygen incorporation in acceptor-doped perovskites
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Emile Bévillon, G. Dezanneau, G. Geneste
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 83, pp.174101. ⟨10.1103/PhysRevB.83.174101⟩
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Oxygen is experimentally known to be incorporated in acceptor-doped perovskites at high temperatures .....
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SHG Microscope Observations of Domain Structures of Multiferroic BiFeO3 Single Crystal
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H. Matsuura, H. Yokota, R. Haumont, Jean-Michel Kiat, Y. Uesu
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Ferroelectrics, 2011, 410, pp.59-62. ⟨10.1080/00150193.2010.492672⟩
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AMolecular Dynamics Study on the OxygenDiffusion inDopedFluorites: The Effect of the Dopant Distribution
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A. Tarancon, A. Morata, F. Peiro, G. Dezanneau
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Fuel Cells, 2011, 11 (1), pp.26-37. ⟨10.1002/fuce.201000065⟩
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The effect of the dopant distribution on the oxygen diffusion in doped fluorites typically used for .....
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Growth of quantum paraelectric La1/2Na1/2TiO3 single crystals using optical floating zone technique
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R. Haumont, R. Saint-Martin, J. Chaigneau, M. Devant, J. Hermet, B. Neela Sekhar, Y. Uesu, M. Itoh, Jean-Michel Kiat
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Journal of Crystal Growth, 2011, 321, pp.36-39. ⟨10.1016/j.jcrysgro.2010.12.056⟩
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Electronic structure of Bi1−xPbxFeO3 from photoelectron spectroscopic studies
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R. Kundu, P. Mishra, B.R. Sekkar, J. Chaigneau, R. Haumont, R. Suryanarayanan, Jean-Michel Kiat
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Solid State Communications, 2011, 151 (3), pp.256-258. ⟨10.1016/j.ssc.2010.10.046⟩
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A brief review on the model antiferroelectric PbZrO3 perovskite-like material
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Hong Liu, B. Dkhil
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Zeitschrift für Kristallographie, 2011, 226 (2), pp.163-170. ⟨10.1524/zkri.2011.1336⟩
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We survey the current state of the model antiferroelectric PbZrO3 (PZO) material. The present paper .....
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First-principles calculation and experimental study of oxygen diffusion in uranium dioxide
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Boris Dorado, Philippe Garcia, Gaëlle Carlot, C. Davoisne, M. Fraczkiewicz, B. Pasquet, M. Freyss, C. Valot, Gianguido Baldinozzi, David Simeone, M. Bertolus
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, pp.035126. ⟨10.1103/PhysRevB.83.035126⟩
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This work provides an illustration that density functional theory (DFT) + U calculations may qua .....
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Rapidly synthesis of nanocrystalline MgIn2O4 spinel using combustion and solid state chemistry.
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S. Surble, Dominique Gosset, Mickaël Dollé, Gianguido Baldinozzi, Stéphane Urvoy, David Simeone
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Solid State Sciences, 2011, 13 (1), pp.42-48. ⟨10.1016/j.solidstatesciences.2010.10.004⟩
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Nanometric/submicronic powders of magnesium indate spinel MgIn2O4 were prepared with a two-steps pro .....
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Evidence of a biphasic domain in the UO 2-Nd 2O 3 diagram at low temperature: a proof for a miscibility gap in the UO 2-Nd 2O 3 phase diagram?
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Lionel Desgranges, Mathieu Marcet, Yves Pontillon, Florence Porcher, J. Lamontagne, P. Matheron, X. Iitis, Gianguido Baldinozzi
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Solid State Data - Pt B: Solid State Phenomena, 2011, 172-174, pp.624-629. ⟨10.4028/www.scientific.net/SSP.172-174.624⟩
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Several samples of (U,Nd)O 2 with different Nd content (ranging from 2 to 50 in Nd 2O 3 mass. %) wer .....
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Phase-fluctuating superconductivity in overdoped La2-xSrxCuO4
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P.M.C. Rourke, I. Mouzopoulou, X. Xu, C. Panagopoulos, Y. Wang, Baptiste Vignolle, Cyril Proust, E. V. Kurganova, U. Zeitler, Y. Tanabe, T. Adachi, Y. Koike, N.E. Hussey
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Nature Physics, 2011, 7 (6), pp.455-458. ⟨10.1038/nphys1945⟩
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Superconducting phase fluctuations are often associated with the pseudogap phase of the copper-oxide .....
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Orthorhombic polar Nd-doped BiFeO3 thin film on MgO substrate
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I. N. Leontyev, Yu I. Yuzyuk, P.-E. Janolin, Mimoun El Marssi, D. Chernyshov, V. Dmitriev, Yu I. Golovko, V. M. Mukhortov, Brahim Dkhil
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Journal of Physics: Condensed Matter, 2011, 23 (33), ⟨10.1088/0953-8984/23/33/332201⟩
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A Nd-doped BiFeO3 thin film deposited on MgO substrate was studied by synchrotron diffraction. The f .....
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Coexistence of ferroelectric triclinic phases in highly strained BiFeO 3 films
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Z. Chen, S. Prosandeev, Z.L. Luo, W. Ren, Y. Qi, C.W. Huang, L. You, C. Gao, I.A. Kornev, T. Wu, J. Wang, P. Yang, T. Sritharan, L. Bellaiche, Lin Chen
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84 (9), pp.094116. ⟨10.1103/PhysRevB.84.094116⟩
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Two tilted triclinic phases were found via synchrotron x-ray diffractions in the mixed-phase regions .....
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Giant surface charge density of graphene resolved from scanning tunneling microscopy and first-principles theory
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P. Xu, Y. Yang, S.D. Barber, M.L. Ackerman, J.K. Schoelz, I.A. Kornev, S. Barraza-Lopez, L. Bellaiche, P.M. Thibado
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84 (16), pp.161409. ⟨10.1103/PhysRevB.84.161409⟩
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In this work, systematic constant-bias, variable-current scanning tunneling microscopy (STM) measure .....
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Synthesis and electrical properties of nanostructured Ba2SnYO5.5 proton conductor
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Y.Z. Wang, Anthony Chesnaud, Emile Bévillon, Guilhem Dezanneau, Jinlong Yang
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Ceramics International, 2011, 37, pp.3351-3355. ⟨10.1016/j.ceramint.2011.05.135⟩
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Ba2SnYO5.5 nanopowders were synthesized by a gel polymerization method. In this process, a gel conta .....
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Cu2O behavior under pressure An ab initio study
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P. Cortona, M. Mebarki
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Journal of Physics: Condensed Matter, 2011, 23 (4), pp.045502. ⟨10.1088/0953-8984/23/4/045502⟩
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We have performed density-functional theory calculations for three crystallographic phases (cuprite, .....
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Magnetoelectricity in BiFeO3 films First-principles-based computations and phenomenology
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S. Prosandeev, I.A. Kornev, L. Bellaiche
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 83 (2), pp.020102. ⟨10.1103/PhysRevB.83.020102⟩
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A first-principles-based effective Hamiltonian is used to compute linear and quadratic magnetoelectr .....
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Inter-Model Consistency and Complementarity: Learning from ex-vivo Imaging and Electrophysiological Data towards an Integrated Understanding of Cardiac Physiology
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Oscar Camara, Maxime Sermesant, P. Lamata, L. Wang, Mihaela Pop, Jatin Relan, Mathieu de Craene, Hervé Delingette, Hong Liu, S. Niederer, A. Pashaei, G. Plank, D. Romero, R. Sebastian, Ken C.L. Wong, H. Zhang, Nicholas Ayache, Alejandro Frangi, P. Shi, Nic Smith, Graham Wright
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Progress in Biophysics and Molecular Biology, 2011, Experimental and Computational Model Interactions in Bio-Research: State of the Art, 107 (1), pp.122-133. ⟨10.1016/j.pbiomolbio.2011.07.007⟩
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Computational models of the heart at various scales and levels of complexity have been independently .....
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High-pressure phase transitions in BiFeO3: hydrostatic versus non-hydrostatic conditions
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M. Guennou, P. Bouvier, R. Haumont, G. Garbarino, J. Kreisel
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Phase Transitions, 2011, 84 (5-6), pp.474-482. ⟨10.1080/01411594.2011.552014⟩
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We report high pressure X-ray diffraction experiments on BiFeO3 (BFO) single crystals in diamond-anv .....
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Influence of ZnO additive on the properties of Y-doped BaSnO3 proton conductor
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Y.Z. Wang, Anthony Chesnaud, Emile Bévillon, Jinlong Yang, Guilhem Dezanneau
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Materials Science and Engineering: B, 2011, 176, pp.1178-1183. ⟨10.1016/j.mseb.2011.06.009⟩
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The effects of ZnO additive on the phase formation, microstructure and electrical conduction of Y-do .....
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Synthesis, structure and protonic conduction of BaSn0.875M0.125O3-d (M [ Sc, Y, In and Gd)
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Yanzhong Wang, Anthony Chesnaud, Emile Bévillon, Jinlong Yang, Guilhem Dezanneau
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International Journal of Hydrogen Energy, 2011, 36, pp.7688-7695. ⟨10.1016/j.ijhydene.2011.03.105⟩
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The acceptor-substituted BaSn0.875M0.125O3-d (M ¼ Sc, In, Y, and Gd) proton conductors were prepare .....
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Synthesis, structure, magnetism and theoretical study of a series of complexes with a decanuclear core [Ln(III)(2)Cu(II)(8)] (Ln = Y, Gd, Tb, Dy)
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Anna Borta, Erwann Jeanneau, Y. Chumakov, Dominique Luneau, Liviu Ungur, Liviu F. Chibotaru, Wolfgang Wernsdorfer
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New Journal of Chemistry, 2011, 35 (6), pp.1270-1279. ⟨10.1039/c0nj00931h⟩
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A family of four isomorph complexes with a decanuclear [Cu(8)Ln(2)] core of general formula [Ln(2)Cu .....
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Radiative heat transfer from a black body to dielectric nanoparticles
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Yann Chalopin, Hichem Dammak, Marine Laroche, Marc Hayoun, Jean-Jacques Greffet
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84, pp.224301. ⟨10.1103/PhysRevB.84.224301⟩
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Heating of dielectric nanoparticles by black-body radiation is investigated by using molecular-dynam .....
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d -Orbital orientation in a dimer cobalt complex: link to magnetic properties?
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Maxime Deutsch, Nicolas Claiser, Jean-Michel Gillet, Claude Lecomte, Hiroshi Sakiyama, Katsuya Tone, Mohamed Souhassou
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Acta Crystallographica Section B : Structural Science [1968-2013], 2011, 67 (4), pp.324-332. ⟨10.1107/S0108768111022671⟩
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The experimental charge-density distribution of the dinuclear cobalt(II) complex [Co2(sym-hmp)2](BPh .....
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Effect of mechanical activation on the structure and ferroelectric property of Na0.5K0.5NbO3
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L. Liu, M. Wu, Y. Huang, L. Fang, H. Fan, Hichem Dammak, M.P. Thi
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Materials Research Bulletin, 2011, 46 (9), pp.1467-1472. ⟨10.1016/j.materresbull.2011.05.001⟩
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Mechanical activation synthesis of Na0.5K0.5NbO 3 (NKN) was studied in order to explore the effect o .....
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Dichotomy in the T-linear resistivity in hole-doped cuprates
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N. E. Hussey, R.A. Cooper, X. F. Xu, Y. Wang, I. Mouzopoulou, Baptiste Vignolle, Cyril Proust
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Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2011, 369 (1941), pp.1626-1639. ⟨10.1098/rsta.2010.0196⟩
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From analysis of the in-plane resistivity ρab(T) of La2−xSrxCuO4, we show that normal state trans .....
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Electron and electrostatic properties of three crystal forms of piracetam
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M.-H. Chambrier, N. Bouhmaida, F. Bonhomme, S. Lebègue, Jean-Michel Gillet, C. Jelsch, N.E. Ghermani
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Crystal Growth & Design, 2011, 11 (6), pp.2528-2539. ⟨10.1021/cg200291t⟩
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The electron densities in three crystal forms of piracetam (triclinic form II, monoclinic form III, .....
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Tailoring strain in the SrTiO3 compound by low-energy He+ irradiation
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S. Autier-Laurent, O. Plantevin, P. Lecoeur, B. Decamps, A. Gentils, C. Bachelet, O. Kaitasov, Gianguido Baldinozzi
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EPL - Europhysics Letters, 2010, pp.36005. ⟨10.1209/0295-5075/92/36005⟩
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The ability to generate a change of the lattice parameter in a near-surface layer of a controllable .....
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Mapping Disorder in Polycrystalline Relaxors: A Piezoresponse Force Microscopy Approach
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A.L. Kholkin, D. A. Kiselev, I K Bdikin, A. Sternberg, B. Dkhil, S. Jesse, O. Ovchinnikov, S.V. Kalinin
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Materials, 2010, 3, pp.4860-4870. ⟨10.3390/ma3114860⟩
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Relaxors constitute a large class of ferroelectrics where disorder is introduced by doping with ions .....
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Molecular dynamics simulations of oxygen diffusion in GdBaCo2O5.5
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J. Hermet, G. Geneste, G. Dezanneau
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Applied Physics Letters, 2010, 97, pp.174102. ⟨10.1063/1.3504250⟩
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The mechanisms of oxygen diffusion in GdBaCo2O5.5 compound are investigated by molecular dynamics si .....
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Assessing the Performances of Some Recently Proposed Density Functionals for the Description of Bond Dissociations Involving Organic Radicals
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V. Tognett, P. Cortona, C. Adamo
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International Journal of Quantum Chemistry, 2010, 110 (12), pp.2320-2329. ⟨10.1002/qua.22571⟩
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In this article, we have assessed the performances of some recently proposed density functionals for .....
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Cytosine-Cytosinium Dimer Behavior in a Cocrystal with a Decavanadate Anion as a Function of the Temperature
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N. Bosnjakovic - Pavlovic, A. Spasojevic-De-Biré
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Journal of Physical Chemistry A, 2010, 114 (39), pp.10664-10675. ⟨10.1021/jp100742g⟩
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We have performed X-ray diffraction measurements on single crystals of Na-3[V10O28](C4N3OH5)(3)-(C4N .....
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Influence of the substrate on the phase composition and electrical properties of 0.65PMN-0.35PT thick films
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H. Ursic, M. Hrovat, J. Holc, Jenny Tellier, S. Drnovsek, N. Guiblin, B. Dkhil, M. Kosec
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Journal of the European Ceramic Society, 2010, 30 (10), pp.2081-2092. ⟨10.1016/j.jeurceramsoc.2010.04.010⟩
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Thick films with the nominal composition 0.65Pb(Mg1/3Nb2/3)O-3-0.35PbTiO(3) (0.65PMN-0.35PT) were pr .....
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Thin ferroelectric Nd-doped BiFeO3 films with orthorhombic structure
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I.N. Leontyev, A.S. Anokhin, Y.I. Yuzyuk, Y.I. Golovko, V.M. Mukhortov, D.Y. Chernyshov, V.P. Dmitriev, P.-E. Janolin, Brahim Dkhil, Mimoun El Marssi
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Bulletin of the Russian Academy of Sciences - Physics, 2010, 74 (8), pp.1112-1114. ⟨10.3103/S1062873810080228⟩
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X-ray diffraction and Raman spectroscopy of epitaxial Nd-doped bismuth ferrite films on MgO substrat .....
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Bridging Multiferroic Phase Transitions by Epitaxial Strain in BiFeO3
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Ingrid C.Infante, S. Lisenkov, B. Dupé, M. Bibes, S. Fusil, E. Jacquet, G. Geneste, S. Petit, A. Courtial, Jean Juraszek, L. Bellaiche, A. Barthelemy, B. Dkhil
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Physical Review Letters, 2010, 105, pp.057601. ⟨10.1103/PhysRevLett.105.057601⟩
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We report the influence of epitaxial strain on the multiferroic phase transitions of BiFeO3 films. U .....
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Experimental Electron Density Study of Tetrakis-mu-(acetylsalicylate)dicopper(II): a Polymeric Structure with Cu center dot center dot center dot Cu Short Contacts
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N. Bouhmaida, M.A. Mendez-Rojas, A. Perez-Benitez, G. Merino, B. Fraisse, N.E. Ghermani
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Inorganic Chemistry, 2010, 49 (14), pp.6443-6452. ⟨10.1021/ic100090h⟩
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The electron density, its topological features, and the electrostatic potential of tetrakis-mu-(acet .....
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Grain size effect on electromechanical properties and non-linear response of dense nano and microstructured PIN-PT ceramics
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K. Alilat, M. P. Thi, H. Dammak, Christine Bogicevic, A. Albareda, M. Doisy
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Journal of the European Ceramic Society, 2010, 30 (9), pp.1919-1924. ⟨10.1016/j.jeurceramsoc.2010.03.010⟩
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Nanopowders of 0.63Pb(In1/2Nb1/2)O-3-0.37PbTiO(3) were synthesized by solid state reaction using the .....
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XRD and electrochemical investigation of particle size effects in platinum-cobalt cathode electrocatalysts for oxygen reduction
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I.N. Leontyev, V.E. Guterman, E.B. Pakhoova, P.E. Timoshenko, A.V. Guterman, I.N. Zakarchenko, G.P. Petin, B. Dkhil
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Journal of Alloys and Compounds, 2010, 500, pp.241-246. ⟨10.1016/j.jallcom.2010.04.018⟩
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Pt-Co/C electrocatalysts with Pt loadings near 30 wt. % prepared by the impregnation method in water .....
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Density-functional calculations for large systems: can GGA functionals be competitive with hybrid functionals?
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V. Tognetti, C. Adamo, P. Cortona
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Interdiscip Sci, 2010, 2 (2), pp.163-168. ⟨10.1007/s12539-010-0073-2⟩
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Two recently proposed correlation functionals, TCA and RevTCA, belonging to the generalized-gradient .....
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Strain analysis by inversion of coherent Bragg X-ray diffraction intensity: the illumination problem
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Virginie Chamard, Mickaël Dollé, G. Baldinozzi, F. Livet, M. de Boissieu, S. Labat, F. Picca, C. Mocuta, P. Donnadieu, T.H. Metzger
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Journal of Modern Optics, 2010, 57 (9), pp.818-825. ⟨10.1080/09500341003746645⟩
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Bragg coherent X-ray diffraction imaging is demonstrated with a micro-focused illumination. The 2D p .....
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Oxygen diffusion in relation to p-type doping in uranium dioxide
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P. Garcia, M. Fraczkiewicz, C. Davoisne, G. Carlot, B. Pasquet, G. Baldinozzi, D. Simeone, C. Petot
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Journal of Nuclear Materials, 2010, 400 (2), pp.112-118. ⟨10.1016/j.jnucmat.2010.02.019⟩
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In this paper we show how electrical conductivity and intrinsic oxygen diffusion coefficient measure .....
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Competing phases in BiFeO3 thin films under compressive epitaxial strain
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B. Dupé, Infante I. Canero, G. Geneste, P.E. Janolin, M. Bibes, A. Barthelemy, S. Lisenkov, L. Bellaiche, S. Ravy, B. Dkhil
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81 (144128), pp.144128-5. ⟨10.1103/pHYSrEVb.81.144128⟩
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Combining density-functional calculations and x-ray diffraction experiments, we show that BiFeO3 epi .....
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Ferroelectric BaTiO3 single crystal under superstrong electric fields up to 55 MV/m: A comparative experimental and theoretical study
auteur
I.N. Leontyev, O.E. Fesenko, N.G. Leontyev, B. Dkhil
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Applied Physics Letters, 2010, 96 (14), pp.142904. ⟨10.1063/1.3386537⟩
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We investigated the effect of huge electric field up to E=55 MV/m on tetragonal ferroelectric phase .....
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Polar clusters in impurity-doped quantum paraelectric K1-xLixTaO(3)
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G. Geneste, Jean-Michel Kiat, H. Yokota, Y. Uesu, F. Porcher
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81 (14), pp.144112. ⟨10.1103/PHYSrevB.81.144112⟩
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Enhancing permittivity of ferroelectric superlattices via composition tuning
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N.A. Pertsev, P.E. Janolin, Jean-Michel Kiat, Y. Uesu
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81 (14), pp.144118. ⟨10.1103/PhysRevB.81.144118⟩
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Evidence for a first-order transition from monoclinic alpha to monoclinic beta phase in BiFeO3 thin films
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H. Toupet, Françoise Le Marrec, C. Lichtensteiger, B. Dkhil, Michael G. Karkut
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81 (14), pp.140101. ⟨10.1103/PhysRevB.81.140101⟩
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We report a temperature-dependent high-resolution x-ray diffraction investigation of 200-nm epitaxia .....
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Free energies of ferroelectric crystals from a microscopic approach
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G. Geneste
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Computer Physics Communications, 2010, 181 (4), pp.732-745. ⟨10.1016/j.cpc.2009.12.004⟩
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The free energy of barium titanate is computed around the Curie temperature as a function of polariz .....
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Low-Symmetry Phases in Ferroelectric Nanowires
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Laurence Louis, P. Gemeiner, I. Ponomareva, L. Bellaiche, G. Geneste, W. Ma, N. Setter, B. Dkhil
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Nano Letters, 2010, 10 (4), pp.1177-1183. ⟨10.1021/nl9034708⟩
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Ferroelectric nanostructures have recently attracted much attention due to the quest of miniaturizin .....
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Ferromagnetism in multiferroic BiFeO3 films: A first-principles-based study
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D. Albrecht, S. Lisenkov, W. Ren, D. Rahmedov, I. Kornev, L. Bellaiche
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81 (14), pp.140401. ⟨10.1103/PhysRevB.81.140401⟩
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An ab initio scheme is developed, and first-principles calculations are performed, to investigate fe .....
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Structure Change of Poly(Vinylidene Fluoride-Trifluoroethylene) Ferroelectric Thin Films on Different Electrodes
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P.F. Liu, X.J. Meng, J.L. Wang, J.H. Chu, P. Gemeiner, S. Geiger, B. Dkhil
article
Ferroelectrics, 2010, 405, pp.183-187. ⟨10.1080/00150193.2010.483198⟩
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In this work we studied 65nm-thick poly(vinylidene fluoride-trifluoroethylene) ferroelectric polymer .....
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Low-symmetry phases and loss of relaxation in nanosized lead scandium niobate
auteur
Jean-Michel Kiat, Christine Bogicevic, Fabienne Karolak, G. Dezanneau, N. Guiblin, W. Ren, L. Bellaiche, R. Haumont
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81 (14), pp.144122. ⟨10.1103/PhysRevB.81.144122⟩
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Using a combination of experimental and theoretical techniques, we reveal that lead scandium niobate .....
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Intrinsic effect of Mn doping in PZN-12%PT single crystals
auteur
M.A. Hentati, M. Guennou, H. Dammak, H. Khemakhem, M. P. Thi
article
Journal of Applied Physics, 2010, 107 (6), pp.064108. ⟨10.1063/1.3331817⟩
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In this work we study the influence of manganese doping on the electromechanical properties of PZN-1 .....
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Nonmagnetic Fe-site doping of BiFeO3 multiferroic ceramics
auteur
J. Wei, R. Haumont, R. Jarrier, P. Berhtet, B. Dkhil
article
Applied Physics Letters, 2010, 96 (10), pp.102509. ⟨10.1063/1.3327885⟩
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In this paper, we show that a pure single phase by doping Fe-site of BiFeO3 (BFO) using tetravalent .....
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Diffuse phase transitions in ferroelectric ultrathin films from first principles
auteur
S. Bin-Omran, I. Kornev, I. Ponomarev, L. Bellaiche
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81 (9), pp.094119. ⟨10.1103/PhysRevB.81.094119⟩
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A first-principles-derived scheme is developed and used to investigate the diffuse character of the .....
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Huge electrocaloric effect in Langmuir-Blodgett ferroelectric polymer thin films
auteur
P.F. Liu, J.L. Wang, X.J. Meng, J. Yang, B. Dkhil, J.H. Chu
article
New Journal of Physics, 2010, 12, pp.023035. ⟨10.1088/1367-2630/12/2/023035⟩
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In this work, we studied polyvinylidene fluoride (PVDF)-based ferroelectric copolymer and terpolymer .....
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Dependence of Curie temperature on the thickness of an ultrathin ferroelectric film
auteur
Emad Almahmoud, I. Kornev, L. Bellaiche
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81, pp.064105. ⟨10.1103/PhysRevB.81.064105⟩
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The thickness dependency of the Curie temperature in stress-free Pb Zr0.5Ti0.5 O3 ultrathin films un .....
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Phase transition and piezoelectric response under electric field in PMN-PT crystals
auteur
H.X. Wang, H. Dammak, P. Gaucher, B. Elouadi
article
Journal of Electroceramics, 2010, 24 (1), pp.10-14. ⟨10.1007/s10832-007-9407-9⟩
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The phase transition between the ferroelectric and relaxor states for (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO( .....
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High Temperature Oxidation of the Al3Mg2 Complex Metallic Alloy
auteur
M.-N. de Noirfontaine, G. Baldinozzi, M.-G. Barthés-Labrousse, J. Kusinski, G. Boëmare, M. Herinx, M. Feuerbacher
article
Oxidation of Metals, 2010, 73 (1-2), pp.219-232. ⟨10.1007/s11085-009-9176-8⟩
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High temperature air oxidation of the Al3Mg2 complex metallic alloy was investigated on powder sampl .....
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Oxygen Diffusion and Electrical Conductivity Measurements in Uranium Dioxide
auteur
Philippe Garcia, M. Fraczkiewicz, C. Davoisne, Gaëlle Carlot, B. Pasquet, Gianguido Baldinozzi, David Simeone, Claude Petot
article
Defect and Diffusion Forum, 2010, 297-301, pp.966-971. ⟨10.4028/www.scientific.net/DDF.297-301.966⟩
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In this paper, we describe two experimental set-ups which enable the measurement of electrical prope .....
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Electromechanical properties of single domain PZN-12%PT measured by three different methods
auteur
M. Guennou, Hichem Dammak, P. Djémia, P. Moch, P.-T. Mai
article
Solid State Sciences, 2010, 12 (3), pp.298-301. ⟨10.1016/j.solidstatesciences.2009.03.026⟩
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In this paper, we compare the electromechanical properties of tetragonal single domain PZN-12%PT sin .....
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Thermodynamics and kinetics of the Schottky defect at terraces and steps on the MgO(001) surface
auteur
Ekaterina Antoshchenkova, Marc Hayoun, Grégory Geneste, Fabio Finocchi
article
Physical Chemistry Chemical Physics, 2010, 12 (26), pp.7251-7257. ⟨10.1039/b923690b⟩
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The Schottky defects at both the. at MgO(001) surface and the monatomic-step edge have been investig .....
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High-pressure investigation of CaTiO3 up to 60 GPa using x-ray diffraction and Raman spectroscopy
auteur
M. Guennou, P. Bouvier, B. Krikler, J. Kreisel, R. Haumont, G. Garbarino
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 82 (13), pp.134101. ⟨10.1103/PhysRevB.82.134101⟩
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2009

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titre
Atomistic screening mechanism of ferroelectric surfaces An in situ study of the polar phase in ultrathin BaTiO3 films exposed to H 2O
auteur
J. Shin, V.B. Nascimento, G. Geneste, J. Rundgren, E.W. Plummer, B. Dkhil, S.V. Kalinin, A.P. Baddorf
article
Nano Letters, 2009, 9 (11), pp.3720-3725. ⟨10.1021/nl901824x⟩
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The polarization screening mechanism and ferroelectric phase stability of ultrathin BaTiO3 films exp .....
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Threshold fields in the dc bias dependence of dielectric responses of relaxor ferroelectric terpolymer films
auteur
X.J. Meng, B. Dkhil, P.F. Liu, J.L. Wang, J.L. Sun, J.H. Chu
article
Journal of Applied Physics, 2009, 106 (10), pp.104102. ⟨10.1063/1.3259375⟩
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The dc bias dependence of dielectric properties has been investigated for poly (vinylindene fluoride .....
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The Debye-like relaxation mechanism in poly(vinylidene fluoride-trifluoroethylene) ferroelectric polymers
auteur
P.F. Liu, P. Gemeiner, X.J. Meng, J.H. Chu, S. Geiger, B. Dkhil
article
Journal of Applied Physics, 2009, 106 (10), pp.104113. ⟨10.1063/1.3259431⟩
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In this work we studied 65-nm-thick poly(vinylidene fluoride-trifluoroethylene) ferroelectric polyme .....
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Quantum thermal bath for molecular dynamics simulation
auteur
Hichem Dammak, Yann Chalopin, Marine Laroche, Marc Hayoun, Jean-Jacques Greffet
article
Physical Review Letters, 2009, 103 (19), pp.190601. ⟨10.1103/PhysRevLett.103.190601⟩
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Molecular dynamics (MD) is a numerical simulation technique based on classical mechanics. It has bee .....
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Toward a Combined DFT/QTAIM Description of Agostic Bonds: The Critical Case of a Nb(III) Complex
auteur
V. Tognetti, L. Joubert, P. Cortona, C. Adamo
article
Journal of Physical Chemistry A, 2009, 113 (44), pp.12322-12327. ⟨10.1021/jp9045534⟩
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A detailed analysis concerning the effect of the exchange-correlation functional on a prototypical a .....
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Electronic Properties of a Cytosine Decavanadate: Toward a Better Understanding of Chemical and Biological Properties of Decavanadates
auteur
Nada Bošnjaković-Pavlović, Anne Spasojevic - de Biré, Isabel Tomaz, Nouzha Bouhmaida, Fernando Avecilla, Ubavka Mioč, João Costa Pessoa, Nour Eddine Ghermani
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Inorganic Chemistry, 2009, 48 (20), pp.9742-9753. ⟨10.1021/ic9008575⟩
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https://hal.science/hal-02298732/file/hal-02298732.%20s1-ln54985295844769-1939656818Hwf-288997371IdV-1101221478549852PDF_HI0001%282%29.pdf BibTex
titre
Strain on ferroelectric thin films
auteur
Pierre-Eymeric Janolin
article
Journal of Materials Science, 2009, 44 (19), pp.5025-5048. ⟨10.1007/s10853-009-3553-1⟩
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Strain engineering aims to take advantage of the stress field imposed by substrates on thin films. I .....
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Influence of decavanadate on rat synaptic plasma membrane ATPases activity
auteur
D. Krstić, M. Čolović, N. Bošnjaković-Pavlović, A. Spasojević-de Biré, V. Vasić
article
General Physiology and Biophysics, 2009, 28 (3), pp.302-306. ⟨10.4149/gpb_2009_03_302⟩
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The in vitro influence of decameric vanadate species on Na + /K +-ATPase, plasma membrane Ca 2+-ATPa .....
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titre
A new temperature scale T* in lead-based relaxor systems
auteur
Brahim Dkhil, P. Gemeiner, A. Al-Barakaty, L. Bellaiche, E. Dul’kin, E. Mojaev, M. Roth
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2009, 80 (6), ⟨10.1103/PhysRevB.80.064103⟩
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Neutron Diffraction Study of the in Situ Oxidation of UO2
auteur
Lionel Desgranges, Gianguido Baldinozzi, Gurvan Rousseau, Jean-Claude Nièpce, Gilbert Calvarin
article
Inorganic Chemistry, 2009, 48 (16), pp.7585 - 7592. ⟨10.1021/ic9000889⟩
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The oxidation of UO2 into U3O8 is described by the accumulation of cuboctahedra into the UO2 lattice .....
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Adsorption and dissociation of H2 O on in-plane-polarized BaTiO3 (001) surfaces and their relation to ferroelectricity
auteur
G. Geneste, B. Dkhil
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2009, 79 (23), pp.235420. ⟨10.1103/PhysRevB.79.235420⟩
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Density-functional calculations have been performed on BaTiO3 (001) bare, with adsorbed molecular wa .....
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Charge density and electrostatic potential analyses in paracetamol
auteur
Nouzha Bouhmaida, François Bonhomme, Benoît Guillot, Christian Jelsch, Nour Eddine Ghermani
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Acta Crystallographica Section B : Structural Science [1968-2013], 2009, 65 (3), pp.363 - 374. ⟨10.1107/S0108768109008271⟩
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The electron density of monoclinic paracetamol was derived from high-resolution X-ray diffraction at .....
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Evidence for room-temperature multiferroicity in a compound with a giant axial ratio
auteur
H. Béa, B. Dupé, S. Fusil, R. Mattana, E. Jacquet, Bénédicte Warot-Fonrose, F. Wilhelm, A. Rogalev, S. Petit, V. Cros, A. Anane, F. Petroff, K. Bouzehouane, G. Geneste, B. Dkhil, S. Lisenkov, I. Ponomareva, L. Bellaiche, M. Bibes, A. Barthélémy
article
Physical Review Letters, 2009, 102 (21), pp.217603. ⟨10.1103/PhysRevLett.102.217603⟩
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In the search for multiferroic materials magnetic compounds with a strongly elongated unit-cell (lar .....
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henomenological theory of phase transitions in epitaxial BaxSr(1-x)TiO3 thin films
auteur
V.B. Shirokov, Yu.I. Yuzyuk, B. Dkhil, V.V. Lemanov
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2009, 79 (14), pp.144118. ⟨10.1103/PhysRevB.79.144118⟩
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https://arxiv.org/pdf/0812.0056 BibTex
titre
Low-temperature and high-pressure Raman and x-ray studies of pyrochlore Tb 2 Ti 2 O 7 : Phonon anomalies and possible phase transition
auteur
Surajit Saha, D.V.S. Muthu, Surjeet Singh, Brahim Dkhil, R. Suryanarayanan, G. Dhalenne, H. Poswal, S. Karmakar, Surinder Sharma, A. Revcolevschi, A.K. Sood
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2009, 79 (13), ⟨10.1103/PhysRevB.79.134112⟩
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https://arxiv.org/pdf/0904.3630 BibTex
titre
Crystal structure and phase transitions of sodium potassium niobate perovskites
auteur
Jenny Tellier, B. Malic, B. Dkhil, D. Jenko, J. Cilensek, M. Kosec
article
Solid State Sciences, 2009, 11 (2), pp.320-324. ⟨10.1016/j.solidstatesciences.2008.07.011⟩
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This paper presents the crystal structure and the phase transitions of K x Na 1-x NbO 3 (0.4. X-ray .....
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titre
Strong enhancement of the direct magnetoelectric effect in strained ferroelectric-ferromagnetic thin-film heterostructures
auteur
N.A. Pertsev, H. Kohlstedt, B. Dkhil
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2009, 80 (5), pp.054102. ⟨10.1103/PhysRevB.80.054102⟩
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The direct magnetoelectric (ME) effect resulting from the polarization changes induced in a ferroele .....
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titre
Phase transitions and ferroelectrics: revival and the future in the field
auteur
J. Kreisel, B. Noheda, B. Dkhil
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Phase Transitions, 2009, 82 (9), pp.633-661. ⟨10.1080/01411590903335249⟩
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https://arxiv.org/pdf/0909.2462 BibTex
titre
Atomistic simulation of pure and doped BaSnO3
auteur
Y.Z. Wang, Emile Bévillon, Anthony Chesnaud, Grégory Geneste, Guilhem Dezanneau
article
Journal of Physical Chemistry C, 2009, 113, pp.20486-20492. ⟨10.1021/jp9054878⟩
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Atomistic simulations have been used to investigate energetic aspects of defects in pure and doped B .....
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On the origin of the sigmoid shape in the UO2 oxidation weight gain curves
auteur
Ludovic Quémard, Lionel Desgranges, Vincent Bouineau, Michèle Pijolat, G. Baldinozzi, Nadine Millot, Jean-Claude Nièpce, Poulesquen Arnaud
article
Journal of the European Ceramic Society, 2009, 29 (13), pp.2791-2798. ⟨10.1016/j.jeurceramsoc.2009.04.010⟩
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Cracking and spalling are known to occur during the oxidation of UO2. However, these phenomena are n .....
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Critical behavior in ferroelectrics from first principles
auteur
E. Almahmoud, I. Kornev, L. Bellaiche
article
Physical Review Letters, 2009, 102 (10), pp.105701. ⟨10.1103/PhysRevLett.102.105701⟩
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We report first-principles-based calculations, combined with an efficient Monte Carlo technique, tha .....
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Effect of in-plane misfit strains on dielectric and pyroelectric response of poly(vinylidene fluoride-trifluoroethylene) ferroelectric polymer
auteur
P.F. Liu, X.J. Meng, J.H. Chu, G. Geneste, B. Dkhil
article
Journal of Applied Physics, 2009, 105 (11), pp.114105. ⟨10.1063/1.3142262⟩
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Using Landau-Devonshire (LD) phenomenological model, we investigate the dielectric and pyroelectric .....
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Demineralized dentin 3 D porosity and pore size distribution using mercury porosimetry
auteur
E. Vennat, Christine Bogicevic, J.-M. Fleureau, M. Degrange
article
Dental Materials, 2009, 25 (6), pp.729-735. ⟨10.1016/j.dental.2008.12.002⟩
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Objectives The objectives of this study were to assess demineralized dentin porosity and quantify th .....
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Activation enthalpies of pericyclic reactions The performances of some recently proposed functionals
auteur
V. Tognetti, P. Cortona, C. Adamo
article
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2009, 122 (5-6), pp.257-264. ⟨10.1007/s00214-008-0503-y⟩
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We have assessed the performances of three recently proposed functionals, RC (Ragot and Cortona in J .....
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titre
Structural and dielectric properties of ferroelectric poly(vinylidene fluoride-trifluoroethylene) thin films with different bottom electrodes
auteur
P.F. Liu, P. Gemeiner, H. Shen, X.J. Meng, J.H. Chu, S. Geiger, N. Guiblin, B. Dkhil
article
Journal of Applied Physics, 2009, 106 (5), pp.054111. ⟨10.1063/1.3212973⟩
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In this work we studied 90 nm thick copolymer thin films of vinylidene fluoride (70%) with trifluoro .....
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titre
Effects of Na/K evaporation on electrical properties and intrinsic defects in Na0.5K0.5NbO3 ceramics
auteur
L. Liu, H. Fan, L. Fang, X. Chen, Hichem Dammak, M.P. Thi
article
Materials Chemistry and Physics, 2009, 117 (1), pp.138-141. ⟨10.1016/j.matchemphys.2009.05.024⟩
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The intrinsic defects of (Na0.5K0.5)NbO3 (NKN) ceramics fabricated by high-energy ball-milling have .....
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titre
The timing of the shrew: continuous melatonin treatment maintains youthful rhythmic activity in aging Crocidura russula.
auteur
E. Magnanou, Joël Attia, R. Fons, G. Boeuf, J. Falcon
article
PLoS ONE, 2009, 4 (6), pp.E5904. ⟨10.1371/journal.pone.0005904⟩
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Background Laboratory conditions nullify the extrinsic factors that determine the wild expected life .....
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titre
Effect of high pressure on multiferroic BiFeO3
auteur
R. Haumont, P. Bouvier, A. Pashkin, K. Rabia, S. Frank, B. Dkhil, W. A. Crichton, C. A. Kuntscher, J. Kreisel
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2009, 79 (18), pp.184110. ⟨10.1103/PhysRevB.79.184110⟩
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titre
Nature of the ferroelectric phase transition in multiferroic BiFeO3 from first principles
auteur
I.A. Kornev, L. Bellaiche
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2009, 79 (10), pp.100105. ⟨10.1103/PhysRevB.79.100105⟩
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A first-principles-based scheme is used to investigate the nature of the ferroelectric phase transit .....
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Spin-lattice coupling in multiferroic Pb (Fe1/2Nb 1/2)O3 thin films
auteur
W. Peng, Nathalie Lemee, Michael G. Karkut, B. Dkhil, V.V. Shvartsman, P. Borisov, W. Kleemann, J. Holc, M. Kosec, R. Blinc
article
Applied Physics Letters, 2009, 94 (1), pp.012509. ⟨10.1063/1.3067872⟩
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We made magnetization and x-ray diffraction measurements on an epitaxial Pb(Fe1/2Nb1/2)O3 200 nm fil .....
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2008

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titre
Stability of the polydomain state in epitaxial ferroelectric PbTiO3 films
auteur
Ausrine Bartasyte, B. Dkhil, Jens Kreisel, J. Chevreul, Odette Chaix-Pluchery, L. Rapenne-Homand, Carmen Jiménez, Adulfas Abrutis, François Weiss
article
Applied Physics Letters, 2008, 93, pp.242907. ⟨10.1063/1.3046787⟩
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Phase transitions and domain state transformations in a 250 nm thick PbTiO3/SrTiO3 film with c/a/c/a .....
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titre
Temperature-dependent Raman and x-ray studies of the spin-ice pyrochlore Dy2Ti2O7 and nonmagnetic pyrochlore Lu2Ti2O7
auteur
Surajit Saha, Surjeet Singh, Brahim Dkhil, S. Dhar, R. Suryanarayanan, G. Dhalenne, A. Revcolevschi, A.K. Sood
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2008, 78 (21), ⟨10.1103/PhysRevB.78.214102⟩
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titre
Effect of grain size on the transition between ferroelectric and relaxor states in 0.8Pb (Mg1/3 Nb2/3) O3 -0.2 PbTiO3 ceramics
auteur
R. Jiménez, H. Amorín, J. Ricote, J. Carreaud, Jean-Michel Kiat, B. Dkhil, J. Holc, M. Kosec, M. Algueró
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2008, 78 (9), pp.094103. ⟨10.1103/PhysRevB.78.094103⟩
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titre
Phenomenological theory of phase transitions in epitaxial BaTiO3 thin films
auteur
V.-B. Shirokov, Yu. I. Yuzyuk, B. Dkhil, V.-V. Lemanov
article
Physics of the Solid State, 2008, 50 (5), pp.928-936 ⟨10.1134/S106378340805020X⟩
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Phase transitions in thin epitaxial films of BaTiO3 are described phenomenologically in terms of Lan .....
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titre
Identification of inhibitors of the E. coli cyclopropane fatty acid synthase from the screening of a chemical library: In vitro and in vivo studies.
auteur
Dominique Guianvarc'H, Guangqi E, Thierry Drujon, Camille Rey, Qian Wang, Olivier Ploux
article
Biochimica et Biophysica Acta - Molecular Cell Research, 2008, 1764 (11), pp.1381-1388. ⟨10.1016/j.bbapap.2008.04.019⟩
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Using an automated coupled colorimetric assay for the Escherichia coli cyclopropane fatty acid synth .....
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Phenomenological description of phase transitions in thin BaTiO3 films
auteur
V.B. Shirokov, Yu.I. Yuzyuk, B. Dkhil, V.V. Lemanov
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Physics of the Solid State, 2008, 50 (5), pp.928-936. ⟨10.1134/S106378340805020X⟩
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Phase transitions in thin epitaxial films of BaTiO3 are described phenomenologically in terms of Lan .....
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Influence of synthesis route and composition on electrical properties of La 9.33 + x Si 6 O 26 + 3x/2 oxy-apatite compounds
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Anthony Chesnaud, G. Dezanneau, C. Estournes, C Bogicevic, F Karolak, S. Geiger, G. Geneste
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Solid State Ionics, 2008, ⟨10.1016/j.ssi.2008.04.035⟩
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Oxy-apatite materials La 9.33 + x Si 6 O 26 + 3x/2 are thought as zirconia-substitutes in Solid Oxid .....
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Theoretical and experimental study of the study of the structural, dynamical and dielectric properties of perovskite BaSnO3
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Emile Bévillon, Anthony Chesnaud, Y.-Z. Wang (t), G. Dezanneau, G. Geneste
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Journal of Physics: Condensed Matter, 2008, 20 (14), pp.145217. ⟨10.1088/0953-8984/20/14/145217⟩
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The structural, dynamical and dielectric properties of the cubic phase of perovskite barium stannate .....
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Nanomechanical and nanowear properties of Cr3C2 thin films deposited by rf sputtering
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A. Jellad, S. Labdi, C. Malibert, G. Renou
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Wear, 2008, 264 (9-10), pp.893-898. ⟨10.1016/j.wear.2007.02.026⟩
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In this investigation, nanoindentation, nanoscratch and nanowear tests were done in order to study t .....
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Dc-bias-field-induced Dielectric Relaxation and AC Conduction in CaCu3Ti4O12 Ceramics
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Laijun Liu, Huiqing Fan, Lei Wang, Xiuli Chen, Pinyang Fang
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Philosophical Magazine, 2008, 88 (04), pp.537-545. ⟨10.1080/14786430801894551⟩
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The dielectric relaxation and ac conduction of CaCu3Ti4O12 (CCTO) ceramics were investigated at diff .....
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Full tensorial characterization of PZN-12%PT single crystal by resonant ultrasound spectroscopy
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Thomas Delaunay, Emmanuel Clezio, Mickael Lematre, Guy Feuillard, M. Guennou, H. Dammak, Mai Pham Thi
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IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, 2008, 55 (2), pp.476 - 488. ⟨10.1109/TUFFC.2008.665⟩
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An experimental setup based on the electrical excitation of a piezoelectric sample is proposed for r .....
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Defect thermodynamic and transport properties of nanocrystalline Gd-Doped ceria
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S. Surblé (t), G. Baldinozzi, M. Dollé (p), D. Gosset (c), C. Petot, G. Petot-Ervas
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Ionics, 2008, 14 (1), pp.33-36. ⟨10.1007/s11581-007-0169-9⟩
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Nanocrystalline CeO2-doped (5, 7.5, 10, and 15 mol%) Gd2O3 powders, with a particle size of about 17 .....
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Facial emotion space in schizophrenia
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Mathilde Vernet, Jean Yves Baudouin, Nicolas Franck
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Cognitive Neuropsychiatry, 2008, 13 (1), pp.59 - 73. ⟨10.1080/13546800701795228⟩
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High-Pressure Effect on PbTiO3 : An Investigation by Raman and X-Ray Scattering up to 63 GPa
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Pierre-Eymeric Janolin, P. Bouvier, J. Kreisel, P.A. Thomas, Igor A. Kornev, Laurent Bellaïche, W. Crichton, M. Hanfland, Brahim Dkhil
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Physical Review Letters, 2008, 101 (23), pp.237601. ⟨10.1103/PhysRevLett.101.237601⟩
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We report a room-temperature high-pressure x-ray and Raman scattering investigation of lead titanate .....
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Strain sensitivity of polarization in perovskite ferroelectrics
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N.A. Pertsev, B. Dkhil
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Applied Physics Letters, 2008, 93 (12), pp.122903. ⟨10.1063/1.2988263⟩
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The sensitivity of spontaneous polarization to epitaxial strains is evaluated for several perovskite .....
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A new parameter-free correlation functional based on an average atomic reduced density gradient analysis
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V. Tognetti, P. Cortona, C. Adamo
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Journal of Chemical Physics, 2008, 128 (3), pp.034101. ⟨10.1063/1.2816137⟩
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A new parameter-free correlation functional based on the local Ragot-Cortona approach [J. Chem. Phys .....
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Ab initio study of La-doped BaSnO3 proton conductor
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Emile Bévillon, Grégory Geneste, Anthony Chesnaud, Yanzhong Wang, · Guilhem Dezanneau
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Ionics, 2008, 14, pp.293 - 301. ⟨10.1007/s11581-008-0218-z⟩
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The hydration properties of Lanthanum-doped barium stannate have been studied using density function .....
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Phase stability and structural temperature dependence in powdered multiferroic BiFeO3
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R. Haumont, I.A. Kornev, S. Lisenkov, L. Bellaiche, J. Kreisel, B. Dkhil
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2008, 78 (13), pp.134108. ⟨10.1103/PhysRevB.78.134108⟩
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We report a temperature-dependent investigation of the multiferroic perovskite bismuth ferrite BiFeO .....
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Freeze-dried nanometric neodymium-doped YAG powders for transparent ceramics
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Y. Rabinovitch, Christine Bogicevic, Fabienne Karolak, D. Tetard, H. Dammak
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Journal of Materials Processing Technology, 2008, 199, pp.314-320. ⟨10.1016/j.jmatprotec.2007.08.022⟩
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Nanometric neodymium-doped yttrium aluminium garnet (YAG) has been synthesised from freeze-dried pre .....
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Increasing physical constraints and improving performances in a parameter-free GGA functional
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V. Tognetti, P. Cortona, C. Adamo
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Chemical Physics Letters, 2008, 460 (4-6), pp.536-539. ⟨10.1016/j.cplett.2008.06.032⟩
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In this Letter we present an evolution of the TCA functional [V. Tognetti, P. Cortona, C. Adamo, J. .....
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2T domain-engineered piezoelectric single crystals Calculations and application to PZN-12%PT poled along [101]
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M. Guennou, Hichem Dammak, M. Pham Thi
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Journal of Applied Physics, 2008, 104 (7), pp.074102. ⟨10.1063/1.2978327⟩
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This work is devoted to a study of the [101] domain-engineered PZN-12%PT single crystals. The full e .....
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Structural evolution of zirconium carbide under ion irradiation
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D. Gosset, Mickaël Dollé, D. Simeone, G. Baldinozzi, L. Thome
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Journal of Nuclear Materials, 2008, 373, pp.123-129. ⟨10.1016/j.jnucmat.2007.05.034⟩
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Zirconium carbide is one of the candidate materials to be used for some fuel components of the high .....
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Copper diffusion in TaN - based thin layers
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J. Nazon, B. Fraisse, J. Sarradin, S. Fries, Jean-Claude Tedenac, Nicole Fréty
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Applied Surface Science, 2008, 254 (18), pp.5670-5674. ⟨10.1016/j.apsusc.2008.03.015⟩
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The diffusion of Cu through TaN-based thin layers into a Si substrate has been studied. The barrier .....
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A Versatile and Low-Toxicity Route for the Production of Electroceramic Oxide Nanopowders
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Alejandro Morata, Anthony Chesnaud, Alberto Tarancón, Sonia Estradé, Francesca Peiró, Joan-Ramon Morante, Guilhem Dezanneau
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European Journal of Inorganic Chemistry, In press, ⟨10.1002/ejic.200701026⟩
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An alternative route to acrylamide gel polymerisation is presented for the preparation of oxide nano .....
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Structural phase transitions in nanosized ferroelectric barium strontium titanate films
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Yu. I. Golovko, V. M. Mukhortov, Yu. I. Yuzyuk, P. E. Janolin, Brahim Dkhil
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Physics of the Solid State, 2008, 50 (3), pp.485-489. ⟨10.1134/S1063783408030153⟩
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The lattice parameters of epitaxial barium strontium titanate films with various thicknesses (from 6 .....
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Effect of the energy deposition modes on the structural stability of pure zirconia
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David Simeone, G. Baldinozzi, D. Gosset, S. Le Caer, L. Mazerolles, Isabelle Monnet, Serge Bouffard
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Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2008, 266 (12-13), pp.3023-3026. ⟨10.1016/j.nimb.2008.03.157⟩
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One of the most important goals in materials science is to be able to design materials with specific .....
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Crystal structures and physico-chemical properties of Zn(II) and Co(II) tetraaqua(3-nitro-4-hydroxybenzoato) complexes: their anticonvulsant activities as well as related (5-nitrosalicylato)-metal complexe
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J. d'Angelo, G. Morgant, N.E. Ghermani, D. Desmaele, B. Fraisse, F. Bonhomme, E. Dichi, M. Sghaier, Y.-L. Li, Yves Journaux, Jrj Sorenson
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Polyhedron, 2008, 27 (2), pp.537-546. ⟨10.1016/j.poly.2007.10.006⟩
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Purposes of these studies were to synthesize Zn(II) and Co(II) complexes of 3-nitro-4-hydroxybenzoic .....
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New preparation by sublimation at low pressure of glycine and physicochemical study
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E. Dichi, M. Sghaier, B. Fraisse, F. Bonhomme, G. Keller
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Journal of Alloys and Compounds, 2008, 458 (1-2), pp.595-601. ⟨10.1016/j.jallcom.2007.07.120⟩
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A physical sublimation process, generally used for the metals, has been applied to an amino acid, gl .....
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Inorganic–inorganic nanocomposite: Surface and conductive properties
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Svjetlana Sredić, Milorad Davidović, Anne Spasojevic - de Biré, Ubavka B. Mioč, Marija Todorović, Dejan Šegan, Dušan Jovanović, George Polizos, Polycarpos Pissis
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Journal of Physics and Chemistry of Solids, 2008, 69 (8), pp.1883-1890. ⟨10.1016/j.jpcs.2007.12.023⟩
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Our previous experience with incorporation of polyoxometalates (POMs) in different substrates have b .....
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Development and characterisation of a screen-printed mixed potential gas sensor
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A. Morata, Jean-Paul Viricelle, A. Tarancon, G. Dezanneau, Christophe Pijolat, F. Peiró, J.-R. Morante
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Sensors and Actuators B: Chemical, 2008, 130 (1), pp.651-566. ⟨10.1016/j.snb.2007.09.086⟩
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We present a new mixed potential gas sensor configuration based on a stack structure fabricated by m .....
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Temperature evolution of lattice strains in relaxor PbSc1/2Nb1/2O3 thin films
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Pierre-Eymeric Janolin, Jean-Michel Kiat, Charlotte Malibert, Shutaro Asanuma, Yoshiaki Uesu
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Applied Physics Letters, 2008, 92 (5), ⟨10.1063/1.2838735⟩
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Temperature evolution of the lattice parameters of relaxor PbSc1/2Nb1/2O3 (PSN) thin films have been .....
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Primary nucleation processes in binary oxide growth: The case of MgO
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Grégory Geneste, Joseph Morillo, Fabio Finocchi, Marc Hayoun
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Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2007, 601, pp.5616-5627. ⟨10.1016/j.susc.2007.09.051⟩
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The smallest forms of stoichiometric and non-stoichiometric MgO clusters appearing on the MgO(001) s .....
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Physico-Chemical Characterizations of Tunisian Organophilic Bentonites
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H. Othmani-Assmann, M. Benna-Zayani, S. Geiger, B. Fraisse, N. Kbir-Ariguib, M. Trabelsi-Ayadi, N.-E. Ghermani, J.-L. Grossiord
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Journal of Physical Chemistry C, 2007, 111 (29), pp.10869-10877. ⟨10.1021/jp068814a⟩
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Organoclays were prepared from two tunisian purified Na-bentonites using benzyltetradecyldimethylamm .....
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Phenomenological theory of phase transitions in epitaxial BaTi O3 thin films
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V.B. Shirokov, Yu.I. Yuzyuk, B. Dkhil, V.V. Lemanov
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (22), pp.224116. ⟨10.1103/PhysRevB.75.224116⟩
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Phase transitions in thin epitaxial films of BaTiO3 are described phenomenologically in terms of Lan .....
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Synthesis and inclusion ability of a bis-beta-cyclodextrin pseudo-cryptand towards Busulfan anticancer agent
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S. Menuel, Jp. Joly, Blandine Courcot, J. Elysee, N.-E. Ghernai, A. Marsura
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Tetrahedron, 2007, 63 (7), pp.1706-1714. ⟨10.1016/j.tet.2006.10.070⟩
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The synthesis of a C2-symmetric receptor including two β-cyclodextrins connected by urea linkers to .....
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Covalently bonded infinite zigzag chain structure in a novel Zn(II) complex of 2.5-dihydroxy-1.6-benzenedicarboxylic acid
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N.E. Ghermani, G. Morgant, J. d'Angelo, D. Desmaele, B. Fraisse, F. Bonhomme, E. Dichi, M. Sghaier
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Polyhedron, 2007, 26 (12), pp.2880-2884. ⟨10.1016/j.poly.2007.01.025⟩
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Reaction of the disodium salt of 2,5-dihydroxy-1,6-benzenedicarboxylic acid (DHBDC) and zinc sulfate .....
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Critical temperatures of 70%Pb(Mg1∕3Nb2∕3)O3–30%PbTiO3 thin films investigated by dielectric, ferroelectric, and structural measurements
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X.J. Meng, Denis Remiens, Mickael Detalle, B. Dkhil, Jl. Sun, Jh. Chu
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Applied Physics Letters, 2007, 90 (13), pp.132904. ⟨10.1063/1.2716312⟩
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The authors have investigated the temperature dependence of the ferroelectric, dielectric, and struc .....
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Strains in BaTiO3 thin film deposited onto Pt-coated Si substrate
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B. Dkhil, E. Defay, J. Guillan
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Applied Physics Letters, 2007, 90 (2), pp.022908. ⟨10.1063/1.2430915⟩
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The ferroelectric-paraelectric phase transition was investigated in BaTiO3 100nm thick film deposite .....
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Second-harmonic generation and x-ray diffraction studies of the pretransitional region and polar phase in relaxor K(1-x)LixTaO3
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H. Yokota, Y. Uesu, C. Malibert, Jean-Michel Kiat
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (18), pp.184113. ⟨10.1103/PhysRevB.75.184113⟩
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Optical second-harmonic generation (SHG) observations and precise x-ray diffraction experiments have .....
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Interconfigurational energies and ionization potentials Test of a correlation energy functional
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V. Tognetti, C. Adamo, P. Cortona
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Chemical Physics, 2007, 337 (1-3), pp.161-167. ⟨10.1016/j.chemphys.2007.07.002⟩
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A recently proposed correlation energy functional [S. Ragot, P. Cortona, J. Chem. Phys. 121 (2004) 7 .....
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Etude du frittage non-conventioel de céramiques de type YAG:Nd en présence d'ajout de silice
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S. Sallé, J.-F. Baumard, Y. Rabinovitch, Christine Bogicevic, Fabienne Karolak, H. Dammak, Claude Estournès, Alexandre Maitre, C. Salle
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Matériaux & Techniques, 2007, 95 (4-5), pp.241-249. ⟨10.1051/mattech:2008008⟩
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L'objectif de cette étude était de cerner l'influence du procédé de frittage non conventionnel e .....
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Influence of different post-tretments on the physical properties of sprayed zinc oxide thin films
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T.N. Hoang, S.V. Thach, M. Jouan, S.N. Xuan, H. Pham-Thi (c)
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Springer Proceedings in Physics, 2007, 127, pp.177-183. ⟨10.1007/978-3-540-88201-5_20⟩
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Polycrystalline ZnO thin films have been prepared on glass substrates by spray pyrolysis technique. .....
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Is K(1-x)LixTa03 a real relaxor ?
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Y. Uesu, H. Yokota, Jean-Michel Kiat, C. Malibert (c)
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Ferroelectrics, 2007, 347, pp.37-43. ⟨10.1080/00150190601186981⟩
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Li-doped KTaO3, K(1-x)Li x TaO3 (KTL) has been reported to be a relaxor with an isovalent substituti .....
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Stability of Glassy and Ferroelectric States in the Relaxors PbMg1/3Nb2/3O3 and PbMg1/3Nb2/3O3-12% PbTiO3
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Eugene V. Colla, D. Vigil, J. Timmerwilke, M. B. Weissman, D. D. Viehland, Brahim Dkhil
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (21), pp.214201. ⟨10.1103/PhysRevB.75.214201⟩
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The stability of the disordered glassy phase in the relaxors PbMg 1/3 Nb 2/3 O 3 and (PbMg 1/3 Nb 2/ .....
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Synthesis of nanosized zirconium carbide by a sol-gel route
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Mickaël Dollé, D. Gosset, Christine Bogicevic, Fabienne Karolak, D. Simeone, G. Baldinozzi
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Journal of the European Ceramic Society, 2007, 27 (4), pp.2061-2067. ⟨10.1016/j.jeurceramsoc.2006.06.005⟩
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Nanosized zirconium carbide was synthesized by a new simple sol–gel method using zirconium n-propo .....
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Comparison of structural and electrical properties of PMN-PT films deposited on Si with different bottom electrodes
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M. Detalle, Gang Wang, Denis Remiens, P. Ruterana, P. Roussel, B. Dkhil
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Journal of Crystal Growth, 2007, 305 (1), pp.137-143. ⟨10.1016/j.jcrysgro.2007.04.020⟩
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PMN-PT (70/30) thin films were deposited by sputtering on silicon substrate covered with different b .....
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Temperature evolution of the structural properties of monodomain ferroelectric thin film
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P.-E. Janolin, Françoise Le Marrec, J. Chevreul, B. Dkhil
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Applied Physics Letters, 2007, 90 (19), pp.192910. ⟨10.1063/1.2738060⟩
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The structural evolution of epitaxial monodomain (only 180° domains) ferroelectric PbTiO3 thin film .....
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Investigation of the surface bands along the X-M line of the Cu(100) surface
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D. Sekiba, F. Komori, P. Cortona
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75, pp.165410. ⟨10.1103/PhysRevB.75.165410⟩
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Recent semiempirical linear combination of atomic orbital method (LCAO) calculations for the Cu surf .....
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Finite-temperature properties of multiferroic BiFeO3
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I.A. Kornev, S. Lisenkov, R. Haumont, B. Dkhil, L. Bellaiche
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Physical Review Letters, 2007, 99 (22), pp.227602. ⟨10.1103/PhysRevLett.99.227602⟩
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An effective Hamiltonian scheme is developed to study finite-temperature properties of multiferroic .....
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Transport properties of yttrium-doped zirconia - Influence of kinetic demixing
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A. Rizea, G. Petot-Ervas, C. Petot, M. Abrudeanu, Mj. Graham, Gi. Sproule
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Solid State Ionics, 2007, 177 (39-40), pp.3417-3424. ⟨10.1016/j.ssi.2006.10.016⟩
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Transmission electron microscopy, XPS analysis, electrical conductivity and diffusion measurements w .....
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Transport properties in calcium-doped cobalt oxide
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L. Cieniek, J. Kusinski, G. Baldinozzi, C. Petot, G. Petot-Ervas
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Inzynieria Materialowa, 2007, 28, pp.242-246
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Nonferroelectric aging in the relaxor PbMg1/3Nb2/303
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Ev. Colla, Mb. Weissman, Pm. Gehring, Gy. Xu, Hs. Luo, P. Gemeiner, B. Dkhil
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (2), pp.024103. ⟨10.1103/PhysRevB.75.024103⟩
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Three samples of PbMg1∕3Nb2∕3O3 found to show no abrupt electric-field-driven phase transition t .....
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Experimental charge density evidence for the existence of high polarizability of the electron density of the free electron pairs on the sulfur atom of the thioureido group, NH-C(S)-NH2, induced by N-H center dot center dot S and C-H center dot center dot S interactions
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Sladjana Novakovic, Bernard Fraisse, Goran A. Bogdanović, Anne Spasojevic - de Biré
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Crystal Growth & Design, 2007, 7 (2), pp.191-195. ⟨10.1021/cg060497+⟩
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The experimental charge density study of salicylaldehyde thiosemicarbazone (SalTSC) has been perform .....
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https://hal.science/hal-00142345/file/hal-00142345.%20as-new-sal-tsc-cg%26d.pdf BibTex
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Syntheses of relaxor/ferroelectric superlattice thin films PB(Sc1/2NB1/2)O3/PbTi03 and their dielectric properties
auteur
A. Asanuma, Y. Uesu, C. Malibert, Jean-Michel Kiat
article
Applied Physics Letters, 2007, 90 (24), pp.242910. ⟨10.1063/1.2748091⟩
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Superlattice (SL) thin films with different periods and composition ratios of Pb(Sc1∕2Nb1∕2)O3 a .....
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The SrTiO3 displacive transition revisited by Coherent X-ray Diffraction
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S. Ravy, D. Le Bollo'Ch, R. Currat, A. Fluerasu, C. Mocuta, B. Dkhil
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Physical Review Letters, 2007, 98 (10), pp.105501. ⟨10.1103/PhysRevLett.98.105501⟩
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Unstable polar mode and minium of the dielectric constant in cubic BaSnO$_3$ under hydrostatic pressure
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Emile Bévillon, G. Geneste
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75, pp.214106. ⟨10.1103/PhysRevB.75.214106⟩
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From first-principles density-functional theory calculations, we show that above a given hydrostatic .....
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Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28·6H2O
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Goran A. Bogdanović, Nada Bosnjakovic - Pavlovic, Anne Spasojevic - de Biré, Nour Eddine Ghermani, Ubavka B. Mioc
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Journal of the Serbian Chemical Society, 2007, 72 (6), pp.545-554. ⟨10.2298/JSC0706545B⟩
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The X-ray structure of ammonium decavanadate hexahydrate was redetermined at a low temperature (100 .....
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Quasivertical line in the phase diagram of single crystals of Pb Mg1 3 Nb2 3 O3 -x PbTiO3 (x=0.00, 0.06, 0.13, and 0.24) with a giant piezoelectric effect
auteur
S.I. Raevskaya, A.S. Emelyanov, F.I. Savenko, M.S. Panchelyuga, I.P. Raevski, S.A. Prosandeev, E.V. Colla, H. Chen, S.G. Lu, R. Blinc, Z. Kutnjak, P. Gemeiner, B. Dkhil, L.S. Kamzina
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 76 (6), pp.060101. ⟨10.1103/PhysRevB.76.060101⟩
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We show that the phase diagram of the (001) Pb Mg1 3 Nb2 3 O3 -x PbTiO3 (PMN- x PT) (x=0.00, 0.06, 0 .....
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Crystal structure of tris(pyridine)(salicylaldehydesemicarbazonato(2-))cobalt(III)-trichloropyridinecobaltate(II) at 293 and 120 K
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Goran A. Bogdanović, Vukadin M. Leovac, Vojinovic-Jesic Lj, Anne Spasojevic - de Biré
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Journal of the Serbian Chemical Society, 2007, 72 (1), pp.63-71. ⟨10.2298/JSC0701063B⟩
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The crystal structure of [CoIII(L)(py)3][CoIICl3(py)] (H2L=salicylaldehyde semicarbazone)was determi .....
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Synthesis and crystal structure of hexaaquamagnesium hydrogen phosphododecatungstate tetrahydrate [Mg(H20)6][HPW12040]4H20
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A. Kremenovic, D. Poleti, Nour-Eddine Ghermani, L. Karanovic, Ubavka Mioč, Z. Nedic, A. Spasojevic-De-Biré
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Crystal Research and Technology, 2007, 42 (1), pp.98-104. ⟨10.1002/crat.200610778⟩
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Crystals suitable for X-ray structure analysis were obtained after the slow evaporation of the react .....
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Crystal and Electronic Structures of Magnesium(II), Copper(II), and Mixed Magnesium(II)-Copper(II) Complexes of the Quinoline Half of Styrylquinoline-Type HIV-1 Integrase Inhibitors
auteur
Blandine Courcot, Delphine Firley, B. Fraisse, Pierre J. Becker, J.-M. Gillet, P. Pattison, D. Chernyshov, M. Sghaier, F. Zouhiri, D. Desmaële, J. d'Angelo, F. Bonhomme, S. Geiger, N.E. Ghermani
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Journal of Physical Chemistry B, 2007, 111 (21), pp.6042-6050. ⟨10.1021/jp0687551⟩
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A new target in AIDS therapy development is HIV-1 integrase (IN). It was proven that HIV-1 IN requir .....
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Orthorhombic and monoclic ferroelectric phases investigated by Raman spectroscopy in PZN-4,5%PT and PZN-9%PT crystals article
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Mimoun El Marssi, H. Dammak
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Solid State Communications, 2007, 142 (9), pp.487-491. ⟨10.1016/j.ssc.2007.04.011⟩
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Polarized Raman spectra measurements have been performed on orientated single crystals of Pb[(Zn1/3N .....
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A crystalline H-bond cluster of hexafluaroisopropanol (HFIP) and piperidine : Structure determination by X ray diffraction
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J.-F. Berrien, M. Ourevitch, G. Morgant, N.-E. Ghermani (c), B. Crousse, D. Bonnet-Delpon
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Journal of Fluorine Chemistry, 2007, 128 (Issue 7), pp.Pages : 839-843. ⟨10.1016/j.jfluchem.2007.03.014⟩
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Piperidine and 1,1,1-3,3,3 hexafluoro-2-propanol (HFIP) have been co-crystallized and X-ray crystal .....
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Partial decoupling between strain and polarization in mono-oriented Pb(Zr0.2Ti0.8)O3 thin film
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P.-E. Janolin, B. Fraisse, Françoise Le Marrec, B. Dkhil
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Applied Physics Letters, 2007, 90 (21), pp.212904. ⟨10.1063/1.2742313⟩
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Uniaxial-stress induced phase transitions in [001](C)-poled 0.955Pb(Zn1/3Nb2/3)03-0.045PbTi0(3)
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P.-E. Janolin, B. Dkhil, M. Davis, D. Damjanovic, N. Setter
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Applied Physics Letters, 2007, 90 (15), pp.152907. ⟨10.1063/1.2721856⟩
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Transport properties of nanocrystalline gadolinium-doped ceria
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G. Baldinozzi, M. Dollé, D. Gosset, S. Surble, J. Kusinski, C. Petot, G. Petot-Ervas
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Inzynieria Materialowa, 2007, 28, pp.233-235
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Influence of calcium on the transport processes in nickel oxide: Consequence in nickel oxidation.
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Gianguido Baldinozzi, N. Halem, L. Cieniek, J. Kusinski, G. Baldinozzi, G. Petot-Ervas
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Inzynieria Materialowa, 2007, 28, pp.774-777
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La pression comme outil de compréhension : Application aux oxydes fonctionnels de structure pérovskite
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J. Kreisel, P. Bouvier, P.-E. Janolin, R. Haumont, Brahim Dkhil
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L'Actualité Chimique, 2007, 307, pp.32-37
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La compréhension d’oxydes fonctionnels de type pérovskite ABO3 est un domaine de recherche très .....
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PbMg1/3Nb2/3O3/PbTiO3 superlattices: An x-ray diffraction and Raman spectroscopy temperature-dependent study
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Houssny Bouyanfif, Nathalie Lemee, Mimoun El Marssi, Françoise Le Marrec, B. Dkhil, J. Chevreul, B. Fraisse, Jc Picot, Michael G. Karkut
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 76 (1), pp.014124. ⟨10.1103/physrevB.76.014124⟩
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We have used x-ray diffraction and Raman spectroscopy over a broad temperature range (90K⩽T⩽900K .....
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The performances of a parameter-free local correlation functional : The Ragot-Cortona model
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V. Tognetti, P. Cortona, C. Adamo
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Chemical Physics Letters, 2007, 439 (4-6), pp.381-385. ⟨10.1016/j.cplett.2007.03.081⟩
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In this Letter, we present an analysis of the performances of a local density functional, recently p .....
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Determination of a one electron reduced density matrix using a coupled pseudo-atoms model and a set of complementary scattering data
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J.-M. Gillet
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Acta Crystallographica [1948-1967], 2007, 63 (3), pp.234-238. ⟨10.1107/S0108767307001663⟩
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A possible model of one-electron reduced density matrices is presented, adapted from the Hansen-Copp .....
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Domain structure sequence in ferroelectric Pb(Zr0.2Ti0.8)O-3 thin film on MgO
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P.-E. Janolin, B. Fraisse, B. Dkhil, Françoise Le Marrec, E. Ringgaard
article
Applied Physics Letters, 2007, 90 (16), pp.162906. ⟨10.1063/1.2727563⟩
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The structural evolution of a polydomain ferroelectric Pb(Zr0.2Ti0.8)O3 film was studied by temperat .....
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Electronic properties of 3.3-dimethyl-5.5-bis(1.2.4-triazine): Towards design of supramolecular arrangements of N-heterocyclic Cu-I complexes
auteur
Blandine Courcot, N. D. Tran, B. Fraisse, F. Bonhomme, Alain Marsura, N.E. Ghermani
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Chemistry - A European Journal, 2007, 13 (12), pp.3414-3423. ⟨10.1002/chem.200601686⟩
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A new efficient and safe synthesis of 3,3′-dimethyl-5,5′-bis-(1,2,4-triazine) is presented. The .....
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Direct lung delivery of a dry powxer formulation, of DTPA with improved aerosolization properties : effect on lung and systemic decorporation of plutonium
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C. Gervelas, A.-L. Serandour, S. Geiger, G. Grillon, David Renault, C. Tautelle, B. Le Gall, H. Benech, J.-R. Deverre, E. Fattal, N. Tsapis
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Journal of Controlled Release, 2007, 118 (1), pp.78-86. ⟨10.1016/j.jconrel.2006.11.027⟩
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DTPA, an actinide chelating agent, has demonstrated its ability to complex plutonium (Pu) and to fac .....
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Growth and structure on Zine oxide nanostructured layer obtained by spray pyrolysis
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S.V. Thach, M. Jouan, S.N. Xuan, T.N. Hoang, H.P. Phi
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Springer Proceedings in Physics, 2007, 127, pp.171-176. ⟨10.1007/978-3-540-88201-5_19⟩
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Undoped zinc oxide nanostructured layers were prepared on glass substrates by the spray pyrolysis te .....
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Matériaux & Techniques Densification par Spark Plasma Sintering (SPS) de matériaux d'électrolytes, difficilement densifiables, pour piles à combustible
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Anthony Chesnaud, F Karolak, C Bogicevic, S Phothirath, C. Estournes, G. Dezanneau
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Matériaux & Techniques, 2007, 95, pp.259 - 268. ⟨10.1051/mattech:2008010⟩
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Des matériaux tels que les apatites à base d'oxydes de lanthane et de silicium ou des pérovskites .....
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Phase Transition at a Nanometer Scale Detected by Acoustic Emission within the Cubic Phase Pb(Zn1/3Nb2/3)03-xPbTi03 Relaxor ferroelectrics
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M. Roth, E. Mojaev, E. Dul'Kin, P. Gemeiner, B. Dkhil
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Physical Review Letters, 2007, 98, pp.265701. ⟨10.1103/PhysRevLett.98.265701⟩
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Pb(Zn1/3Nb2/3)O3−xPbTiO3 (x=4.5%–12%) relaxor ferroelectric crystals have been studied by means .....
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Binding Mode of Styrylquinoline-type HIV-1 Integrase Inhibitors : Crystal and Electronic Structures of a Mg(II)-Complexed Progenitor
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Delphine Firley, Blandine Courcot, P. Pattisson, B. Fraisse, D. Chernyshov, D. Desmaële, Pierre J. Becker, J. d'Angelo, N.-E. Ghermani (c)
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Journal of Physical Chemistry B, 2007
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Acoustic emission study of PZN-7% PT crystals
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Evgeniy Dul'Kin, Evgeny Mojaev, Michael Roth, P.-E. Janolin, Brahim Dkhil
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Ferroelectrics, 2007, 351, pp.131-137. ⟨10.1080/00150190701354125⟩
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Phase transitions in PbZn1/3Nb2/3O3-7%PbTiO3 (PZN-7%PT) relaxor ferroelectric crystals have been inv .....
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Size effect in morphotropic phase boundary Pb (Mg13 Nb23) O3 -PbTi O3
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M. Algueró, J. Ricote, R. Jiḿnez, P. Ramos, J. Carreaud, B. Dkhil, Jean-Michel Kiat, J. Holc, M. Kosec
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Applied Physics Letters, 2007, 91 (11), pp.112905. ⟨10.1063/1.2778471⟩
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Preparation by solar physical vapor deposition (SPVD) and nanostructural study of pure and Bi doped ZnO nanopowders
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T. Ait Ahcene, C. Monty, J. Kouam, Alain Thorel, G. Petot-Ervas, A. Djemel
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Journal of the European Ceramic Society, 2007, 27, pp.3413-3424. ⟨10.1016/j.jeurceramsoc.2007.01.020⟩
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Pure and Bi doped ZnO nanopowders have been prepared by a physical vapor deposition process in a sol .....
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Pb Mg1 3 Nb2 3 O3 PbTi O3 superlattices An x-ray diffraction and Raman spectroscopy temperature-dependent study
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Houssny Bouyanfif, Nathalie Lemee, Mimoun El Marssi, Françoise Le Marrec, B. Dkhil, J. Chevreul, B. Fraisse, J.C. Picot, Michael G. Karkut
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 76 (1), pp.014124. ⟨10.1103/PhysRevB.76.014124⟩
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We have used x-ray diffraction and Raman spectroscopy over a broad temperature range (90 K≤T≤900 .....
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Topological Features of both Electron Density and Electrostatic Potential in Bis(tiosemicarbazide)zinc(II) dinitrate Complex
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Sladjana B. Novaković, Goran A. Bogdanović, Bernard Fraisse, Nour Eddine Ghermani, Nouzha Bouhmaida, Anne Spasojevic - de Biré
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Journal of Physical Chemistry A, 2007, 111 (51), pp.13492 -13505. ⟨10.1021/jp075456i⟩
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The experimental electron density of bis(tiosemicarbazide)zinc(II) dinitrate complex, [Zn(CH5N3S)2]( .....
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Experimental and fist-principles study of the structure and dielectric response of the high-temperature quantum paraelectric La1/2 Na1/2 Ti03
auteur
G. Geneste, Jean-Michel Kiat, C. Malibert, J. Chaigneau (t)
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (17), pp.174707. ⟨10.1103/PhysRevB.75.174107⟩
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The low-temperature structural evolution and dielectric and dynamic properties of perovskite La1∕2 .....
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Preparation of transparent oxyapatite ceramics by combined use of freeze-drying and spark-plasma sintering
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A. Chesnaud, Christine Bogicevic, Fabienne Karolak, C. Estournes, Guilhem Dezanneau
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Chemical Communications, 2007, 15, pp.1550-1552. ⟨10.1039/b615524c⟩
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Lanthanum silicate oxyapatites, ion-conducting materials presenting a strong aversion against densif .....
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2006

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titre
Phenomenological model of damage creation by high electronic excitations in pure metals
auteur
H. Dammak, D. Lesueur, A. Dunlop, P. Legrand, Joseph Morillo
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Radiation Effects and Defects in Solids, 2006, 126 (1-4), pp.111-114. ⟨10.1080/10420159308219689⟩
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Structural stability of ZnAl2O4 spinel irradiated by low energy particles
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D. Simeone, Gianguido Baldinozzi, Dominique Gosset, Mickaël Dollé, L. Thomé, Léo Mazérolles
article
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2006, 250, pp.119-122. ⟨10.1016/j.nimb.2006.04.094⟩
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It is now well known that irradiation of metals and alloys can drive materials into complex configur .....
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Fine grains ceramics of PIN-PT, PIN-PMN-PT and PMN-PT systems Drift of the dielectric constant under high electric field
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M. Pham-Thi, C. Augier, Hichem Dammak, P. Gaucher
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Ultrasonics, 2006, 44 (SUPPL.), pp.e627-e631. ⟨10.1016/j.ultras.2006.05.017⟩
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Lead-based ferroelectric ceramics with (1-x)Pb(B1 B2)O3-xPbTiO3 formula have emerged as a group of p .....
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Exact Kohn-Sham versus Hartree-Fock in momentum space: Examples of two-fermion systems
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Sebastien Ragot
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Journal of Chemical Physics, 2006, 125, pp.Art. No. 014106. ⟨10.1063/1.2212935⟩
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The question of how density functional theory (DFT) compares with Hartree-Fock (HF) for the computat .....
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Transition between the ferroelectric and relaxor states in 0.8Pb(Mg1/3Nb2/3)O-3-0.2PbTiO(3) ceramic
auteur
J. Carreaud, Brahim Dkhil, M. Kosec, R. Jimenez, B. Jimenez, Jean-Michel Kiat, J. Holc, M. Alguero
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 74, pp.184106. ⟨10.1103/PhysRevB.74.184106⟩
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The phase transition between the ferroelectric and relaxor states for 0.8Pb(Mg1/3Nb2/3)O-3-0.2PbTiO( .....
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Grain-boundary resistivity versus grain size distribution in three-dimensional polycrystals
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A. Morata, A. Tarancon, F. Peiro, Guilhem Dezanneau, Jr Morante, M. Salleras
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Applied Physics Letters, 2006, 88, pp.141920. ⟨10.1063/1.2189017⟩
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We have studied the accuracy of the bricklayer model in the evaluation of the grain-boundary resisti .....
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Phase diagram of Pb(Zr,Ti)O-3 solid solutions from first principles
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Igor A. Kornev, L. Bellaiche, Pierre- Eymeric Janolin, Brahim Dkhil, E. Suard
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Physical Review Letters, 2006, 97, pp.Art n°157601. ⟨10.1103/PhysRevLett.97.157601⟩
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titre
Freeze-drying of composite core-shell nanoparticales
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Layre A.M., P. Couvreur, J. Richard, D. Requier, Ghermani N.E., R. Gref
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Drug Development and Industrial Pharmacy, 2006, 32 (7), pp.839-846. ⟨10.1080/03639040600685134⟩
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The effects of four sugars (glucose, saccharose, maltose, trehalose) and one surfactant (Poloxamer 1 .....
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Acoustic emission study of phase transitions and polar nanoregions in relaxor-based systems: Application to the PbZn1/3Nb2/3O3 family of single crystals
auteur
Brahim Dkhil, Pierre-Eymeric Janolin, E. Dul'Kin, M. Roth
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 73, pp.012102. ⟨10.1103/PhysRevB.73.012102⟩
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The restored strain energy in PbZn1/3Nb2/3O3 (PZN) and 9%PbTiO3-doped PZN (PZN-9%PT) relaxor crystal .....
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(3S,4S,5S,10S,13R,14R,17R)-4 alpha,14 alpha-Dimethyl-3 beta-tosyl-5 alpha-ergost-8-ene-7,11,24-trione at 100 K
auteur
N. Mazoir, M. Berraho, Bernard Fraisse, A. Benharref, N. Bouhmaida
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Acta Crystallographica Section E : Structure Reports Online [2001-2014], 2006, 62, pp.O2153-O2155. ⟨10.1107/S1600536806015340⟩
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The title compound, C36H50O6S, forms an extended sheet of four fused rings which exhibit different c .....
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Pressure instabilities up to 46 GPa in the relaxor ferroelectric PbZn1/3Nb2/3O3
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Brahim Dkhil, Pierre-Eymeric Janolin, P. Bouvier, J. Kreisel, P. A. Thomas
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 73, pp.094128. ⟨10.1103/PhysRevB.73.094128⟩
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We report a high-pressure investigation of the relaxor ferroelectric lead zinc niobate PbZn1/3Nb2/3O .....
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Polar and chemical order in relation with morphotropic phase boundaries and relaxor behaviour in bulk and nanostructured PSN-PT
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R. Haumont, J. Carreaud, P. Gemeiner, Brahim Dkhil, C. Malibert, A. Al-Barakaty, L. Bellaiche, Jean-Michel Kiat
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Phase Transitions, 2006, 79, pp.213-134. ⟨10.1080/01411590600555917⟩
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We have recently evidenced the existence of a complex path of polarisation rotation via two monoclin .....
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Experimental/theoretical electrostatic properties of a styrylquinoline-type HIV-1 integrase inhibitor and its progenitors
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Bernard Fraisse, Jean d'Angelo, Noureddine Ghermani, Delphine Firley, Blandine Courcot, Jean-Michel Gillet, F. Zouhiri, D. Desmaele
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Journal of Physical Chemistry B, 2006, 110, pp.537-547. ⟨10.1021/jp0582179⟩
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We have established that polyhydroxylated styrylquinolines are potent inhibitors of HIV-1 integrase .....
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Low-temperature (100 K) crystal structures of pentaaqua(5-nitro salicylato) complexes of magnesium(II), zinc(II), cobalt(II) and nickel(II): A pi-pi stacked and hydrogen bonded 3D supramolecular architecture
auteur
Georges Morgant, Nouzha Bouhmaida, Lamine Balde, Noureddine Ghermani, Jean d'Angelo
article
Polyhedron, 2006, 25 (11), pp.2229-2235. ⟨10.1016/j.poly.2006.01.018⟩
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Reactions of metal chloride or sulfate and the sodium salt of 5-nitrosalicylic acid (5-nsa) in aqueo .....
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A detailed study of UO2 to U3O8 oxidation phases and the associated rate-limiting steps
auteur
G. Rousseau, L. Desgranges, F. Charlot, N. Millot, Jc Niepce, M. Pijolat, F. Valdivieso, Gianguido Baldinozzi, Jf Berar
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Journal of Nuclear Materials, 2006, 355 (1-3), pp.10-20. ⟨10.1016/j.jnucmat.2006.03.015⟩
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The kinetic and crystalline evolutions of UO2 during its oxidation into U3O8 at 250 degrees C in air .....
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Monoclinic morphotropic phase and grain size-induced polarization rotation in Pb(Mg1/3Nb2/3)O-3-PbTiO3
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Brahim Dkhil, J. Carreaud, Jean-Michel Kiat, M. Algueró, J. Ricote, R. Jiménez, J. Holc, M. Kosec
article
Applied Physics Letters, 2006, 89, pp.252906. ⟨10.1063/1.2415999⟩
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A detailed Rietveld analysis of x-ray data, collected at room temperature, was done on ceramics with .....
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Observation of rotation of polarization in thin films of Pb(Sc1/2Nb1/2)0-3-PbTi03 via a monoclinic phase
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Raphaël Haumont, Charlotte Malibert, Brahim Dkhil, Jean-Michel Kiat, François Lemarrec, Shutaro Asanuma, Yoshiaki Uesu
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Japanese Journal of Applied Physics, part 2 : Letters, 2006, 45 (1-3), pp.L42-L45. ⟨10.1143/JJAP.45.L42⟩
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Using a simple methodology based on the classical Bragg–Brentano X-ray geometry we have evidenced .....
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Influence of Al on the growth and adherence of NiO layers on nickel-base alloys
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Nacer Halem, Georgette Petot-Ervas
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Annales de Chimie - Science des Matériaux, 2006, 31 (2), pp.197-211
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The objective of this work was to study the influence of low aluminium contents (0.5% by weight) on .....
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Phase transition of pure zirconia under irradiation: A textbook example
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David Simeone, Gianguido Baldinozzi, D. Gosset, S. Le Caer
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Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2006, 250 (1-2), pp.95-100. ⟨10.1016/j.nimb.2006.04.092⟩
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One of the most important goals in ceramic and materials science is to be able to design materials w .....
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Effect of grain size distribution on the grain boundary electrical response of 2D and 3D polycrystals
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Guilhem Dezanneau, A. Morata, A. Tarancon, F. Peiro, Jr Morante
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Solid State Ionics, 2006, 177 (35-36), pp.3117-3121 ⟨10.1016/j.ssi.2006.07.044⟩
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We study the influence of grain size distributions of 2D and 3D polycrystals on the electrical respo .....
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An original supramolecular helicate from a bipyridine-bipyrazine ligand strand and Ni-II by self-assembly
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Bernard Fraisse, Noureddine Ghermani, J. Mathieu, D. Lacour, F. Montaigne, A. Marsura
article
European Journal of Inorganic Chemistry, 2006, pp.133-136. ⟨10.1002/ejic.200500660⟩
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A new discrete supramolecular pseudo-helicate has been obtained from a saturated heterotopic methylb .....
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Polar and chemical states at a nanometer scale in a PbSc1/2Nb1/2O3-PbTiO3 system investigated by Raman spectroscopy
auteur
Brahim Dkhil, Jean-Michel Kiat, R. Haumont, P. Gemeiner, Alain Bulou
article
Physical Review, 2006, 73, pp.104106. ⟨10.1103/PhysRevB.73.104106⟩
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We have investigated the whole phase diagram of PbSc1/2Nb1/2O3-PbTiO3 (PSN-PT) solid solution by Ram .....
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Influence of Ca content and oxygen partial pressure on microstructural evolution of (Co,Ca)O at elevated temperatures Author(s): Kusins
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Gianguido Baldinozzi, Georgette Petot-Ervas, J. Kusinski, L. Cieniek, Claude Petot
article
Journal of Microscopy, 2006, 224, pp.30-33 Part 1. ⟨10.1111/j.1365-2818.2006.01650.x⟩
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Ca-doped (1, 1.7, 5 and 10 mol% CaO) cobalt oxide single-crystal samples, with an [001] orientation, .....
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Evidence of extended defects in pure zirconia irradiated by swift heavy ions
auteur
Gianguido Baldinozzi, David Simeone, D. Gosset, Isabelle Monnet, Sophie Le Caer, Leo Mazerolles
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 74, pp.No. 132107. ⟨10.1103/PhysRevB.74.132107⟩
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X-ray diffraction, transmission electron microscopy, and optical spectroscopy were used to investiga .....
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Finite-size effects in BaTi03 nanowires
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G. Geneste, E. Bousquet, J. Junquera, Ghosez Ph.
article
Applied Physics Letters, 2006, 88 (11), pp.112906. ⟨10.1063/1.2186104⟩
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The size dependence of the ferroelectric properties of BaTiO3 nanowires is studied from first princi .....
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2005

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titre
Phase diagram of high T-c Pb(In1/2Nb1/2)O-3-PbTiO3 ceramics
auteur
Hichem Dammak, P. Gaucher, Augier C (t), M. Phamthi
article
Journal of the European Ceramic Society, 2005, 25 (12), pp.2429-2432. ⟨10.1016/j.jeurceramsoc.2005.03.076⟩
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Dense(1-x)Pb(In1/2Nb1/2)O-3-xPbTiO(3) (PIN-PT) ceramics were synthesised by hot forging and thermal .....
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Nanostructure, nanochemistry and grain boundary conductivity of yttria-doped zirconia
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A. Rizea, Raulot Jm, C. Petot, G. Petot-Ervas, G. Baldinozzi
article
Solid State Phenomena, 2005, 106, pp.83-86. ⟨10.4028/www.scientific.net/SSP.106.83⟩
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This work was directed at a comprehensive study of the role of the nanostructure and nanochemistry o .....
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Characterisation of uranium vacancies in hyper stoichiometric uranium dioxide
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L. Desgranges, M. Gramond, C. Petot, G. Petot-Ervas, P. Ruello, B. Saadi
article
Journal of the European Ceramic Society, 2005, 25 (12), pp.2683-2686. ⟨10.1016/j.jeurceramsoc.2005.03.123⟩
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An experimental method, based on measurements of the expansion of a single crystal as a function of .....
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Ferroelectricity of perovskites under pressure
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Kornev Ia, P. Bouvier, Pe Janolin, B. Dkhil, J. Kreisel, L. Bellaiche
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Physical Review Letters, 2005, 95 (19), pp.Art. No. 196804. ⟨10.1103/PhysRevLett.95.196804⟩
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Ab initio simulations and experimental techniques are combined to reveal that, unlike what was commo .....
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Combined theoretical and experimental study of the low-temperature properties of BaZrO3
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A.R. Akbarzadeh, I. Kornev, C. Malibert, L. Bellaiche, Jean-Michel Kiat
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 72(20), 8 p. ⟨10.1103/PhysRevB.72.205104⟩
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titre
Easy induction of a ferroelectric fourfold monoclinic domain state from a tetragonal ferroelectric monodomain state in PbZn1/3Nb 2/3O3
auteur
A. Lebon, H. Dammak, G. Calvarin
article
Journal of Physics: Condensed Matter, 2005, 17 (41), pp.6385-6391. ⟨10.1088/0953-8984/17/41/009⟩
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We report a combined pyroelectric, dielectic and structural characterization of PZN single crystals .....
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Cation order-disorder in Pb(B-II,B-V)O-3-related relaxors: The random-layer model investigated by Monte Carlo simulation
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Hichem Dammak, Marc Hayoun
article
Journal of Physics and Chemistry of Solids, 2005, 66 (10), pp.1838-1843. ⟨10.1016/j.jpcs.2005.09.071⟩
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The charge-balanced random-layer model for ordered lead-based perovskites Pb((B1/3B2/3V)-B-II)O-3 wa .....
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Anionic and cationic diffusion in ionic conducting oxides
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J. Kusinski, C. Petot, G. Petot-Ervas, Raulot Jm
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Defect and Diffusion Forum, 2005, 237-240, pp.843-848. ⟨10.4028/www.scientific.net/DDF.237-240.843⟩
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This paper concerns an analysis of the transport processes at high temperature in anionic conducting .....
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Frequency dependance of electromechanical properties of PZN-xPT single crystals
auteur
Thomas Delaunay, Le Clezio E, Thi Mp, M. Lethiecq, G. Feuillard, Hichem Dammak, P. Gaucher
article
Journal de Physique IV Proceedings, 2005, 128, pp.161-167. ⟨10.1051/jp4:2005128025⟩
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In this paper, the frequency behaviour of electro-mechanical properties of PZN-xPT single crystals w .....
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Study of potassium-sodium-niobate alloys: A combined experimental and theoretical approach
auteur
B. Dkhil, L. Bellaiche, J. Attia, P. Gemeiner, B. Malic
article
Journal de Physique IV Proceedings, 2005, 128, pp.55-60. ⟨10.1051/jp4:2005128009⟩
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Experimental and theoretical techniques are combined to investigate properties of the environmentall .....
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Nano structuration of zirconia under irradiation: A way to enhance the mechanical stability of zirconia layer
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D. Simeone, G. Baldinozzi, D. Gosset, Le Caer S, L. Mazerolles
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Reviews on Advanced Materials Science, 2005, 10 (2), pp.118-122
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Zirconia is one of the most important ceramic materials because of the large range of industrial app .....
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Preface - Electro-active materials and sustainable growth
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P. Gaucher, P. Gonnard
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Journal de Physique IV Proceedings, 2005, Proceedings of the 4th EMSC, 128, pp.V. ⟨10.1051/jp4:2005128033⟩
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Editorial Material
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Frequency dependance of electromechanical properties of PZN-xPT single crystals
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T. Delaunay, E. Le Clézio, H. Dammak, P. Gaucher, M. Pham Thi, M. Lethiecq, Guy Feuillard
article
Journal de Physique IV Proceedings, 2005, 128, pp.161-167. ⟨10.1051/jp4:2005128025⟩
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In this paper, the frequency behaviour of electro-mechanical properties of PZN-xPT single crystals w .....
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X Ray investigation of high oriented (1-x)PbMg1/3Nb2/3O3-(x)PbTiO3
auteur
Hichem Dammak, M. Phamthi, H. Hemery
article
Journal of the European Ceramic Society, 2005, 25 (12), pp.2433-2435. ⟨10.1016/j.jeurceramsoc.2005.03.077⟩
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Textured Tape Cast Ceramics were prepared by homo epitaxial template grain growth from (1-x)PbMg1/3N .....
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Structural studies of relaxor/ferroelectric Pb(Mg1/3Nb2/3)O-3/PbTiO3 superlattices
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Houssny Bouyanfif, Nathalie Lemee, Mimoun El Marssi, Françoise Le Marrec, Michael G. Karkut, B. Dkhil
article
Ferroelectrics, 2005, 316 (1), pp.131-137. ⟨10.1080/00150190590963255⟩
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We have synthesized [Pb(Mg1/3Nb2/3)O-3]((1-x)Lambda)/[PbTiO3](x Lambda) (PMN(1-x)LambdaPT(x)Lambda) .....
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Acoustic emission and nonergodic states of the electric-field-induced-phase transition of PbMg1/3Nb2/3O3
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B. Dkhil, E. Dul'Kin, M. Roth, Jean-Michel Kiat
article
Journal of Applied Physics, 2005, 98 (2), pp.Art. No. 023520. ⟨10.1063/1.1980527⟩
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Acoustic emission (AE) method was used to investigate the electric-field-induced-phase transition in .....
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LCAO study of the Cu(110)-p(2 x 1)O surface
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P. Cortona, C. Sapet
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Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2005, 585 (3), pp.155-162. ⟨10.1016/j.susc.2005.04.036⟩
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We have performed semi-empirical LCAO calculations of the electronic structure of the Cu(1 1 0)-p(2 .....
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Oxide solid electrolytes under non-equilibrium conditions - Interfaces and ageing
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C. Petot, G. Petot-Ervas
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Ionics, 2005, 11 (3-4), pp.189-197. ⟨10.1007/BF02430375⟩
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This paper gives an overview of the materials transport processes which occur in oxide solid electro .....
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Electrical conductivity and thermoelectric power of uranium dioxide
auteur
P. Ruello, G. Petot-Ervas, C. Petot, L. Desgranges
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Journal of the American Ceramic Society, 2005, 88 (3), pp.604-611. ⟨10.1111/j.1551-2916.2005.00100.x⟩
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The electrical conductivity and thermoelectric power of an uranium dioxide single crystal were measu .....
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Heat capacity anomaly in UO2 in the vicinity of 1300 K: an improved description based on high resolution X-ray and neutron powder diffraction studies
auteur
C. Petot, G. Calvarin, G. Petot-Ervas, L. Desgranges, P. Ruello, G. Baldinozzi, T. Hansen
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Journal of Physics and Chemistry of Solids, 2005, 66 (5), pp.823-831. ⟨10.1016/j.jpcs.2004.10.009⟩
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X-ray and neutron powder diffraction studies of UO2 were performed under controlled oxygen partial p .....
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Elusive contribution of the experimental surface molecular electrostatic potential and promolecule approximation in the empirical estimate of the crystal density
auteur
N. Bouhmaida, Ghermani N.E.
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Journal of Chemical Physics, 2005, 122, pp.Art. n° 114101. ⟨10.1063/1.1862238⟩
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The aim of this study is to probe the crystal density (Dc) description in terms of pertinent molecul .....
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Synthesis, crystal structure, IR and Raman properties of 1,2-diacetamidocyclohexane and its complexes with ZnBr2 and HBr3
auteur
A. Bekaert, P. Lemoine, B. Viossat, M. Jouan, P. Gemeiner, J.D. Brion
article
Journal of Molecular Structure, 2005, 738 (1-3), pp.39-44. ⟨10.1016/j.molstruc.2004.10.068⟩
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X-ray crystallography, infrared absorption and Raman scattering were applied to study the influence .....
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7-arboxylato-8-hydroxy-2-methylquinolinium monohydrate and 7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate at 100 K
auteur
Delphine Firley, Bernard Fraisse, F. Zouhiri, Anne Spasojevic-de Bire, D. Desmaele, J. d'Angelo, Ne Ghermani
article
Acta Crystallographica Section C : Crystal Structure Communications [1968-2013], 2005, 61, pp.O154-O157 Part 3. ⟨10.1107/s0108270104031403⟩
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Both 7-carboxylato-8-hydroxy-2-methylquinolinium monohydrate, C11H9NO3.H2O, (1), and 7-carboxy-8-hyd .....
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Morphotropic phase boundary of heterovalent perovskite solid solutions: Experimental and theoretical investigation of PbSc1/2Nb1/2O3-PbTiO3
auteur
R. Haumont, A. Al-Barakaty, B. Dkhil, Jean-Michel Kiat, L. Bellaiche
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 71 (10), pp.Art. No. 104106. ⟨10.1103/PhysRevB.71.104106⟩
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X-ray and neutron diffraction techniques are combined with first-principles-based simulations to der .....
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Metal-insulator transition in thin films of RxR ' 1-xNiO3 compounds: DC electrical conductivity and IR spectroscopy measurements
auteur
F. Capon, P. Ruello, Jean-François Bardeau, P. Simon, P. Laffez, Brahim Dkhil, L. Reversat, K. Galicka, A. Ratuszna
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Journal of Physics: Condensed Matter, 2005, 17 (7) (7), pp.1137-1150. ⟨10.1088/0953-8984/17/7/007⟩
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In this work a systematic comparison of DC electrical conductivity and IR optical properties of thin .....
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Electric-field-induced orthorhombic phase in Pb[(Zn1/3Nb2/3)(0.955)Ti-0.045]O-3 single crystals
auteur
Alexandra Renault-Laborne, Hichem Dammak, G. Calvarin, Philippe Gaucher, Mp Thi
article
Journal of Applied Physics, 2005, 97 (4), pp.Art. No. 044105. ⟨10.1063/1.1849819⟩
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The ferroelectric phase transitions of [(1) over bar 01]-, [001]-, and [111]-oriented Pb[Zn1/3Nb2/3] .....
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titre
Phase stability in nanocrystalline zirconia.
auteur
G. Baldinozzi, D. Simeone, D. Gosset, M. Dutheil
article
Solid State Phenomena, 2005, 106, pp.63-74. ⟨10.4028/www.scientific.net/SSP.106.63⟩
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Zirconia can be considered to be one of the most important ceramic materials because of its large ra .....
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titre
Stress and orientation in the relaxor/ferroelectric superlattices (PbMg1/3Nb2/3O3)((1-x)Lambda)/(PbTiO3)(x Lambda)
auteur
Houssny Bouyanfif, Mimoun El Marssi, Françoise Le Marrec, Michael G. Karkut, Nathalie Lemee, Brahim Dkhil
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 71 (2), pp.Art. No. 020103. ⟨10.1103/PhysRevB.71.020103⟩
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We have grown a series of [PbMg1/3Nb2/3O3]((1-x)Lambda)/[PbTiO3](xLambda)(PMN1-x/PTx) superlattices .....
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titre
Supramolecular arrangement of tensioactive molecules in interlayer spaces of two organophilic clays
auteur
S. Geiger, H. Othmani, M. Benna-Zayani, B. Fraisse, M. Trabelsi-Ayadi, N. Kbir-Ariguib, Grossiord J.L., Ghermani N.E.
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Acta Crystallographica [1948-1967], 2005, pp.A61, C378. ⟨10.1107/s0108767305083960⟩
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Procedures for the refinement of incommensurate structures unsing XND. Coding issues for the refinement of incommensurate structures
auteur
J.-F. Bérar, G. Baldinozzi
article
IUCr Newsletter, 2005, 5, pp.5-9
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titre
Combined theoretical and experimental study of the low-temperature properties of BaZr03
auteur
A.R. Akbarzadeh, I. Kornev, C. Malibert, L. Bellaiche, Jean-Michel Kiat
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 72, pp.Art. n° 205104. ⟨10.1103/physrevb.72.205104⟩
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titre
Size-driven relaxation and polar states in PbMg1/3Nb2/303-based system
auteur
J. Carreaud, P. Gemeiner, Jean-Michel Kiat, B. Dkhil, Christine Bogicevic, T. Rojac, B. Malic
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 72, pp.Art. n° 174115. ⟨10.1103/PhysRevB.72.174115⟩
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Nanocrystalline powders and ceramics with controlled grain size from 15 to 3000 nm of PbMg1∕3Nb2 .....
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2004

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titre
Effect of high pressure on the Pb(Mg1/3Nb2/3)O3-PbTiO3 solid solution. A Raman scattering investigation
auteur
B. Chaabane, Jens Kreisel, Pierre Bouvier, Guy Lucazeau, B. Dkhil
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2004, 70 (13), p. 134114(5 p.). ⟨10.1103/PhysRevB.70.134114⟩
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We report a high-pressure Raman scattering investigation of (1−x)Pb(Mg1∕3Nb2∕3 .....
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Investigation of the cytosine–decavanadate interaction from an experimental charge density: a supramolecular arrangement of Na 3 V 10 O 28 (C 4 N 3 OH 5 ) 3 (C 4 N 3 OH 6 ) 3 ·10H 2 O in the solid state
auteur
N. Bosnjakovic-Pavlovic, Nouzha Bouhmaida, A. Spasojevic-de Biré, I. Correia, I. Tomaz, F. Avecilla, João Costa Pessoa, U. Mioc, Nour-Eddine Ghermani
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Acta Crystallographica Section A : Foundations of Crystallography [1968-2013], 2004, 60 (a1), pp.s34-s34. ⟨10.1107/S0108767304099349⟩
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Correlation kinetic energy of many-electron systems: a modified Colle-Salvetti approach
auteur
Sebastien Ragot, Pietro Cortona
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Journal of Chemical Physics, 2004, 121, pp.7671-7680. ⟨10.1063/1.1792153⟩
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The Colle and Salvetti approach [Theoret. Chim. Acta, 37, 329 (1975)] to the calculation of the corr .....
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titre
Crystallographic/experimental electron density characterizations and reactions with nucleophiles of β-enaminonitriles possessing a pyrrolobenzazepine core
auteur
M. Pizzonero, L. Keller, F. Dumas, M. Ourevitch, G. Morgant, Anne Spasojevic - de Biré, Goran A. Bogdanović, N.E. Ghermani, J. d'Angelo
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Journal of Organic Chemistry, 2004, 69 (13), pp.4336-4350. ⟨10.1021/jo049681x⟩
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In connection with a total synthesis of cephalotaxine (1a), we have examined the addition of various .....
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titre
Orientation distribution and fiber texture of highly oriented piezoceramics (1 - X)PbMg1/3Nb2/3O 3-xPbTiO3 system
auteur
M. Pham Thi, H. Hemery, O. Durand, Hichem Dammak
article
Japanese Journal of Applied Physics, 2004, 43 (12), pp.8190-8194. ⟨10.1143/JJAP.43.8190⟩
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Textured (1 - x)PbMg1/3Nb2/3O3-xPbTiO 3, (PMN-xPT), ceramics were synthesised by the homo template g .....
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High-pressure Raman investigation of the Pb-free relaxor BaTi0.65Zr0.35O3
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J. Kreisel, P. Bouvier, Mario Maglione, B. Dkhil, Annie Simon
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2004, 69 (9), 092104 (4 p.). ⟨10.1103/PhysRevB.69.092104⟩
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We report high-pressure Raman measurements (up to 27 GPa) on the perovskite-type relaxor ferroelectr .....
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Molecular reactivity of busulfan through its experimental electrostatic properties in the solid state
auteur
N.E. Ghermani, Anne Spasojevic - de Biré, N. Bouhmaida, S. Ouharzoune, J. Bouligand, A. Layre, R. Gref, P. Couvreur
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Pharmaceutical Research, 2004, 21 (4), pp.598-607. ⟨10.1023/b:pham.0000022406.04888.f1⟩
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Purpose. In the route of developing novel liquid phase formulations based on the encapsulation of bu .....
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Effect of high pressure on the relaxor ferroelectrics Na1/2Bi1/2TiO3 (NBT) and PbMg1/3Nb2/3O3 (PMN)
auteur
Jens Kreisel, Pierre Bouvier, B. Dkhil, B. Chaabane, A. Michael Glazer, Pamela A. Thomas, T. Welberry
article
Ferroelectrics, 2004, 302 (1), pp. 293-298. ⟨10.1080/00150190490455269⟩
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The aim of the present paper is to review and briefly discuss recent experimental results on the eff .....
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Electronic structure of the Cu (1 1 0) -p (2 × 1) O surface by the semi-empirical LCAO method
auteur
P. Cortona, C. Sapet
article
Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2004, 566-568 (1-3 PART 2), pp.1102-1106. ⟨10.1016/j.susc.2004.06.064⟩
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We have performed LCAO semi-empirical calculations for the Cu(110)-p(2 × 1)O surface. The Cu substr .....
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2003

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titre
High-pressure x-ray scattering of oxides with a nanoscale local structure: Application to Na1/2Bi1/2TiO3
auteur
Jens Kreisel, Pierre Bouvier, B. Dkhil, Pamela A. Thomas, A. Michael Glazer, T. Welberry, B. Chaabane, Mohamed Mezouar
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2003, 68 (1), p. 014113(7 p.). ⟨10.1103/PhysRevB.68.014113⟩
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Many of the outstanding properties in oxides are related to materials with an intrinsic nanoscaled l .....
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Pressure-Induced Suppression of the Diffuse Scattering in the Model Relaxor Ferroelectric PbMg1/3Nb2/3O3
auteur
B. Chaabane, Jens Kreisel, B. Dkhil, Pierre Bouvier, Mohamed Mezouar
article
Physical Review Letters, 2003, 90 (25), p. 257601(4 p.). ⟨10.1103/PhysRevLett.90.257601⟩
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We report an investigation of the relaxor ferroelectric PbMg1/3Nb2/3O3
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Tetragonal and rhombohedral induced polar order from the relaxor state of PbZn1/3Nb2/3O3
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A. Lebon, Hichem Dammak, G. Calvarin
article
Journal of Physics: Condensed Matter, 2003, 15 (19), pp.3069-3078. ⟨10.1088/0953-8984/15/19/309⟩
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Structural and dielectric characterizations of the relaxor ferroelectric PbZn1/3Nb2/3 (PZN) were car .....
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Study of the effect of high electronic excitations in quasicrystals irradiated with heavy ions
auteur
G. Coddens, A. Dunlop, Hichem Dammak, R. Chatterjee, Y. Calvayrac, M. Quiquandon, E. Elkaïm, M. Gailhanou, S. Rouzière
article
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2003, 211 (1), pp.122-132. ⟨10.1016/S0168-583X(03)01210-2⟩
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We have studied the effect of irradiation with 900 MeV Pb and 780 MeV Xe ions on quasicrystals Al62C .....
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Cation ordering and order-disorder phase transition in co-substituted Li4Ti5O12 spinels
auteur
N. Jovic, B. Antic, A. Kremenović, Anne Spasojevic - de Biré, V. Spasojevic
article
physica status solidi (a), 2003, 198 (1), pp.18-28. ⟨10.1002/pssa.200306451⟩
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In this paper we present the results of the synthesis, crystal structure investigations and in situ .....
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Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole
auteur
K. Meszaros Szecsenyi, V.M. Leovac, V.I. Češljević, A. Kovács, G. Pokol, Gy. Argay, A. Kálmán, Goran A. Bogdanović, Ž.K. Jaćimović, Anne Spasojevic - de Biré
article
Inorganica Chimica Acta, 2003, 353, pp.253-262. ⟨10.1016/S0020-1693(03)00231-7⟩
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Complex formation of copper(II) bromide and acetate with 1-carboxamide-3,5-dimethylpyrazole (HL3) an .....
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Angular versus radial correlation effects on momentum distributions of light two-electron ions
auteur
Sebastien Ragot, Jean-Michel Gillet, Pierre J. Becker
article
Journal of Physics B: Atomic, Molecular and Optical Physics, 2003, 36, pp.197-208. ⟨10.1088/0953-4075/36/2/302/meta⟩
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We investigate different correlation mechanisms for two-electron systems and compare their respectiv .....
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https://arxiv.org/pdf/physics/0112079 BibTex
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Origin of the Giant Piezoelectric Properties in the [001] Domain Engineered Relaxor Single Crystals
auteur
Hichem Dammak, Alexandra Renault-Laborne, P. Gaucher, M.P. Thi, G. Calvarin
article
Japanese Journal of Applied Physics, 2003, 42 (10), pp.6477-6482. ⟨10.1143/JJAP.42.6477⟩
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Relaxor single crystals PZN-9%PT have been cut and poled along [1̄01] direction for which the spont .....
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Cationic-competition-induced monoclinic phase in high piezoelectric (PbSc1/2Nb1/2O3)1-x-(PbTiO3)x compounds
auteur
R. Haumont, Brahim Dkhil, Jean-Michel Kiat, A. Al-Barakaty, Hichem Dammak, L. Bellaiche
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2003, 68 (1), ⟨10.1103/PhysRevB.68.014114⟩
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A global picture for the structural evolution in the relaxor-ferroelectric solid solution (PbSc1/2Nb .....
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2002

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titre
Structural modifications of dodecatungstophosphoric acid hexahydrate induced by temperature in the 10–358 K range. In situ high-resolution neutron powder diffraction investigation
auteur
A. Kremenovic, Anne Spasojevic - de Biré, F. Bouree, Ph. Colomban, R. Dimitrijević, M. Davidović, U.B. Mioč
article
Solid State Ionics, 2002, 150 (3-4), pp.431-442. ⟨10.1016/S0167-2738(02)00419-8⟩
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Dodecatungstophosphoric acid hexahydrate H3PW12O40·6H2O crystal structure has been investigated by .....
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https://hal.science/hal-02298723/file/hal-02298723%20Kremenovic_2002.pdf BibTex
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Space Correction of Frequency Distribution for X-H...π Interaction (X = O, N, C) for Six-Membered Aromatic and Chelate Rings
auteur
Goran A. Bogdanović, A. Spasojevic-de Biré
article
Acta Crystallographica Section A : Foundations of Crystallography [1968-2013], 2002, 58 (s1), pp.c331-c331. ⟨10.1107/S0108767302098203⟩
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Interpreting Compton anisotropy of ice Ih: a cluster partitioning method
auteur
Sebastien Ragot, Jean-Michel Gillet, Pierre J. Becker
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2002, 65, pp.235115. ⟨10.1103/PhysRevB.65.235115⟩
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We propose a simple cluster-based method with application to calculations of Compton profile anisotr .....
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https://arxiv.org/pdf/physics/0111157 BibTex
titre
Effect of high pressure on relaxor ferroelectrics
auteur
Jens Kreisel, B. Dkhil, Pierre Bouvier, Jean-Michel Kiat
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2002, 65 (17), p. 172101(4 p.). ⟨10.1103/PhysRevB.65.172101⟩
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We report results of a high-pressure investigation by Raman spectroscopy of a classic relaxor ferroe .....
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Monoclinic structure of unpoled morphotropic high piezoelectric PMN-PT and PZN-PT compounds
auteur
Jean-Michel Kiat, Yoshiaki Uesu, Brahim Dkhil, Masaaki Matsuda, Charlotte Malibert, Gilbert Calvarin
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2002, 65 (6), ⟨10.1103/PhysRevB.65.064106⟩
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https://arxiv.org/pdf/cond-mat/0109217 BibTex
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An ab-initio study of the rôle of lone pairs in the structure and insulator-metal transition in SnO and PbO
auteur
J.-M. Raulot, G. Baldinozzi, R. Seshadri, P. Cortona
article
Solid State Sciences, 2002, 4 (4), pp.467-474. ⟨10.1016/S1293-2558(02)01280-3⟩
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We have performed density functional calculations on tetragonal SnO and PbO (litharge) in the space .....
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A cluster partitioning method: determination of density matrices of solids and comparison with X-ray experiments
auteur
Sebastien Ragot, Jean-Michel Gillet, Pierre J. Becker
article
Journal of Chemical Physics, 2002, 117, pp.6915-6921
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In this paper we show that 1-electron properties such as Compton profiles and structure factors of c .....
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https://arxiv.org/pdf/physics/0112078 BibTex
titre
Comparison of two polymeric transition metal complexes with 1, 4-benzenedicarboxylate ions as bridging ligands, [Co(C8H4O4)(C12H8N2)(H2O)] and [Cu(C8H4O4)(C10H9N3)]·H2O
auteur
L. Karanović, D. Poleti, J. Rogan, Goran A. Bogdanović, Anne Spasojevic - de Biré
article
Acta Crystallographica Section C : Crystal Structure Communications [1968-2013], 2002, 58 (5), pp.m275-m279. ⟨10.1107/S0108270102004341⟩
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The two polymeric transition metal complexes with 1, 4-benzenedicarboxylate ions as bridging ligands .....
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Chemical bonding in methylidyne complexes Neutron diffraction study on a single crystal of BrW3 (CH(dmpe-d)12)2 at 100 K and 293 K.
auteur
C. Ménoret, Anne Spasojevic - de Biré, Q.D. Nguyen, A. Cousson, Jean-Michel Kiat, J.D. Manna, M.D. Hopkins
article
Journal of the Chemical Society, Dalton Transactions, 2002, 19, pp.3731-3736. ⟨10.1039/b204383a⟩
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Carbyne complexes have been extensively studied but only a few of them contain the M[triple bond, le .....
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Local correlation mechanisms in ionic compounds Comparison with x-ray scattering experiments
auteur
S. Ragot, Jean-Michel Gillet, Pierre J. Becker
article
Journal of Chemical Physics, 2002, 117 (15), pp.6915-6922. ⟨10.1063/1.1506912⟩
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Finite-cluster calculations allowed for a qualitative description of local correlation effects on bo .....
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https://arxiv.org/pdf/physics/0112078 BibTex
titre
Synthesis of nanometric cubic BaTiO3 by using and original chemical route: Freeze-drying method
auteur
Christine Bogicevic, F. Laher-Lacour, C. Malibert, B. Dkhil, C. Menoret, H. Dammak, Marie-Laurence Giorgi, Jean-Michel Kiat
article
Ferroelectrics, 2002, 270 (1), pp.57-62. ⟨10.1080/00150190211234⟩
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ω phase individual latent tracks induced by irradiation of α-titanium with megaelectronvolt fullerenes
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M. Angiolini, Hichem Dammak, A. Dunlop
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Philosophical Magazine Letters, 2002, 82 (2), pp.81-89. ⟨10.1080/09500830110100679⟩
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Evidence is obtained for the existence of a hexagonal ω phase in individual latent tracks (i.e. in .....
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Domain structures in monoclinic Pb[(Zn1/3Nb2/3)0.91Ti0.09] O3 poled single crystals
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Alexandra Renault-Laborne, Hichem Dammak, G. Calvarin, M.P. Thi, P. Gaucher
article
Japanese Journal of Applied Physics, 2002, 41 (6 A), pp.3846-3850. ⟨10.1143/JJAP.41.3846⟩
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A tetragonal (T) ↔ monoclinic (M) phase transition characterized by a wide thermal hysteresis is o .....
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Evidence based on crystal structures and calculations of a C-H···π Interaction between an organic moiety and a chelate ring in transition metal complexes
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Goran A. Bogdanović, Anne Spasojevic - de Biré, S.D. Zarić
article
European Journal of Inorganic Chemistry, 2002, 7, pp.1599-1602. ⟨10.1002/1099-0682(200207)2002:7<1599::aid-ejic1599>3.0.co;2-i⟩
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Structural and computational evidence is given for a special type of C-H···π interaction where t .....
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Experimental electron density and electrostatic potential analysis of zinc(aspirinate) 2 (H 2 O) 2 complex A 3d 10 metal bonding to a drug ligand
auteur
Anne Spasojevic - de Biré, N. Bouhmaida, A. Kremenović, G. Morgant, N.E. Ghermani
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Journal of Physical Chemistry A, 2002, 106 (50), pp.12170-12177. ⟨10.1021/jp021718z⟩
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For the protection against the side effects and the improvement of the pharmacological activity of n .....
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Crystal structure and characterisation of cadmium cyanamide
auteur
Gianguido Baldinozzi, Barbara Malinowska, Mohammed Rakib, Gérard Durand
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Journal of Materials Chemistry C, 2002, 12 (2), pp.268-272. ⟨10.1039/b106498c⟩
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The crystal structure of cadmium cyanamide was investigated by X-ray powder analysis and refined usi .....
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titre
Structural evolution and polar order in Sr1-xBaxTiO3
auteur
C. Ménoret, Jean-Michel Kiat, Brahim Dkhil, M. Dunlop, Hichem Dammak, O. Hernandez
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2002, 65 (22), pp.2241041-2241049. ⟨10.1103/PhysRevB.65.224104⟩
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The cubic-to-rhombohedral phase transition of Pb(Zn1/3Nb2/3)O3 A high-resolution x-ray diffraction study on single crystals
auteur
A. Lebon, Hichem Dammak, G. Calvarin, I. Ould Ahmedou
article
Journal of Physics: Condensed Matter, 2002, 14 (29), pp.7035-7043. ⟨10.1088/0953-8984/14/29/305⟩
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The cubic-to-rhombohedral (C-R) phase transition of the ferroelectric relaxor Pb(Zn1/3Nb2/3O3) is in .....
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2001

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Synthesis and X-Ray Crystal Analysis of [Cu-2(HCOO)Tpmc]-[Cu-2(CH3COO)Tpmc](ClO4)(6)Center Dot 6H(2)O (Tpmc = N,N ’,N ’ ’,N ’ ’ ’-Tetrakis-(2-Pyridylmethyl)-1,4,8,11-Tetraazacyclotetradecane). Preparation and Characterization of [Cu-2(HCOO)Tpmc](ClO4)(3)Center Dot H2O
auteur
Goran A. Bogdanović, Zoran Miodragović, Gordana Vučković, Rade Marković, Anne Spasojevic - de Biré
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Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 2001, 31 (7), pp.1189-1203. ⟨10.1081/SIM-100106857⟩
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Complementary aspects of charge and momentum density for the study of the chemical bond
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Pierre J. Becker, Jean-Michel Gillet, P. Cortona, S. Ragot
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Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2001, 105 (4-5), pp.284-291. ⟨10.1007/s002140000229⟩
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Charge density can be accessed through accurate X-ray diffraction by crystals. It has recently becom .....
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Transition metal complexes with thiosemicarbazide-based ligands. XLII.1 Bis(S-methylisothiosemicarbazido-N1,N4)bis(pyrazole-N 2)nickel(II) diiodide
auteur
Goran A. Bogdanović, Vukadin M. Leovac, S.B. Novaković, V.I. Ćešljević, Anne Spasojevic - de Biré
article
Acta Crystallographica Section C : Crystal Structure Communications [1968-2013], 2001, 57 (10), pp.1138-1140. ⟨10.1107/S010827010100991X⟩
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In the title compound, [Ni(C2H7N3S)2(C3H4N2)2]I2, the NiII ion assumes a centrosymmetric distorted o .....
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Joint refinement of a local wave-function model from Compton and Bragg scattering data
auteur
Jean-Michel Gillet, Pierre J. Becker, P. Cortona
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2001, 63 (23), ⟨10.1103/PhysRevB.63.235115⟩
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The first joint refinement of a local wave-function model from diffraction and Compton scattering da .....
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Transition metal complexes with thiosemicarbazide-based ligands. Part XLI. Two crystal structures of cobalt(III) complexes with salicylaldehyde S-methylisothiosemicarbazone and theoretical study on orientations of coordinated pyridines
auteur
Goran A. Bogdanović, V.B. Medakovic, Ljiljana S. Vojinović, V.I. Ćešljević, Vukadin M. Leovac, Anne Spasojevic - de Biré, S.D. Zarić
article
Polyhedron, 2001, 20 (17), pp.2231-2240. ⟨10.1016/S0277-5387(01)00819-1⟩
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Two compounds, [CoIII(L)(py)3][CoII(py)Cl3]EtOH and [CoIII(L)(py)3]I3(H2L = salicylaldehyde S-methyl .....
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Mixed cobalt(III) complexes with aromatic amino acids and diamine. Part II. Synthesis and configuration of (1,2-diaminoethane)Bis(L-Tyrosinato)-cobalt(III)complex diastereomers. The crystal structure of the Δ-C 1 -Cis(O) diastereomer
auteur
Dj.U. Miodragović, Goran A. Bogdanović, S.M. Milosavljević, M.J. Malinar, M.B. Ćeleap, Anne Spasojevic - de Biré, S. Macura, N. Juranić
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Enantiomer, 2001, 6 (5), pp.299-308
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In the reaction of trans-[CoCl 2 (en) 2 ] + with L-tyrosine all six theoretically possible diastereo .....
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Translational and orientational order in lead zinc niobate An optical and Raman study
auteur
A. Lebon, Mimoun El Marssi, R. Farhi, Hichem Dammak, G. Calvarin
article
Journal of Applied Physics, 2001, 89 (7), pp.3947-3954. ⟨10.1063/1.1329663⟩
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Raman and optical experiments have been performed on a lead zinc niobate [Pb(Zn1/3Nb2/3)O3 or PZN] s .....
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2000

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Keggin's ion structural modification and expansion of dodecatungstophosphoric acid hexahydrate induced by temperature treatment In situ X-ray powder diffraction and Raman investigations
auteur
A. Kremenović, Anne Spasojevic - de Biré, R. Dimitrijević, P. Sciau, U.B. Mioč, P. Colomban
article
Solid State Ionics, 2000, 132 (1), pp.39-53. ⟨10.1016/S0167-2738(00)00727-X⟩
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The changes in lattice and molecular structure of the dodecatungstophosphoric acid hexahydrate (WPA- .....
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Towards a refinement of bonding features in MgO from directional Compton profiles
auteur
C. Fluteaux, Jean-Michel Gillet, Pierre J. Becker
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Journal of Physics and Chemistry of Solids, 2000, 61 (3), pp.369-373. ⟨10.1016/S0022-3697(99)00319-4⟩
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Adhesive properties of metals on oxide substrates, such as MgO, critically depend on the effective c .....
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Crystal structure of ammonium iminodiacetate, NH4C4H6NO4
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Z.B. Marković, Goran A. Bogdanović, Anne Spasojevic - de Biré, Tibor Sabo, S.R. Trifunović
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Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215 (3), pp.363-364. ⟨10.1515/ncrs-2000-0328⟩
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C4H10N2O4, orthorhombic, Pccn (No. 56), a = 7.782(2) Å, b = 8.642(2) Å, c = 10.230(3) Å, V = 688. .....
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Mixed ligand Co(II), Ni(II) and Cu(II) complexes containing terephthalato ligands. Crystal structures of diaqua(2,2'-dipyridylamine)(terephthalato)metal(II) trihydrates (metal = cobalt or nickel)
auteur
J. Rogan, D. Poleti, L. Karanović, Goran A. Bogdanović, Anne Spasojevic - de Biré, D.M. Petrović
article
Polyhedron, 2000, 19 (11), pp.1415-1421. ⟨10.1016/S0277-5387(00)00435-6⟩
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A series of nine ternary Co(II), Ni(II) and Cu(II) complexes with some aromatic diamines and dianion .....
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1999

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titre
Analysis of the MgO structure factors
auteur
Jean-Michel Gillet, P. Cortona
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 1999, 60 (12), pp.8569-8574. ⟨10.1103/PhysRevB.60.8569⟩
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The results of recent measurements [Zuo et al., Phys. Rev. Lett. 78, 4777 (1997)] of some low-order .....
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titre
Analytical reconstruction of momentum density from directional compton profiles
auteur
Jean-Michel Gillet, C. Fluteaux, Pierre J. Becker
article
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 1999, 60 (4), pp.2345-2349. ⟨10.1103/PhysRevB.60.2345⟩
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An alternative method for reconstruction of three-dimensional momentum density from directional Comp .....
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titre
Kinetic study of PZN single crystal polarization under a static electric field
auteur
Hichem Dammak, A. Lebon, G. Calvarin
article
Ferroelectrics, 1999, 235 (1), pp.151-158. ⟨10.1080/00150199908214875⟩
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A kinetic effect is evidenced in lead zinc niobate (PZN). We measured the time dependencies of the p .....
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titre
Study of the irradiation-induced α ® ω phase transformation in titanium Kinetics and mechanism
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Hichem Dammak, A. Dunlop, D. Lesueur
article
Philosophical Magazine A Physics of Condensed Matter, Structure, Defects and Mechanical Properties, 1999, 79 (1), pp.147-166. ⟨10.1080/01418619908214280⟩
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An atomic-crystallographic mechanism is proposed for the α —andgt;ω or transformation during irr .....
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Charge and momentum densities of cubic tetracyanoethylene and its insertion compounds
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D. Bélemlilga, Jean-Michel Gillet, Pierre J. Becker
article
Acta Crystallographica Section B : Structural Science [1968-2013], 1999, 55 (2), pp.192-202. ⟨10.1107/S0108768198012166⟩
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Charge and momentum electron densities provide complementary views of cohesive forces in solids. Thi .....
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1993

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titre
α→ω phase transformation induced in titanium during ion irradiations in the electronic slowing-down regime
auteur
H. Dammak, A. Barbu, A. Dunlop, D. Lesueur, N. Lorenzelli
article
Philosophical Magazine Letters, 1993, 67 (4), pp.253-259. ⟨10.1080/09500839308240937⟩
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https://hal.science/hal-02492931/file/Phil-Mag93.pdf BibTex