%0 Journal Article
%T P-T Phase Diagram of LuFe2O4
%+ Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM)
%+ Laboratoire de cristallographie et sciences des matériaux (CRISMAT)
%+ Laboratoire Léon Brillouin (LLB - UMR 12)
%+ European Synchrotron Radiation Facility (ESRF)
%+ Institut Laue-Langevin (ILL)
%+ Synchrotron SOLEIL (SSOLEIL)
%+ Laboratoire Charles Coulomb (L2C)
%A Poienar, Maria
%A Bourgeois, Julie
%A Martin, Christine
%A Hervieu, Maryvonne
%A Damay, François
%A Garbarino, Gaston
%A Hanfland, Michael
%A Hansen, Thomas
%A Baudelet, Francois
%A Bantignies, Jean
%A Hermet, Patrick
%A Haines, Julien
%A Rouquette, Jérôme
%< avec comité de lecture
%@ 2073-4352
%J Crystals
%I MDPI
%V 8
%N 5
%P 184-1-184-17
%8 2018
%D 2018
%R 10.3390/cryst8050184
%K LuFe2O4
%K Pressure-temperature phase diagram
%K Total-energy calculation
%K Wave basis-set
%K Ferroelectricity
%K Approximation
%K Metals
%Z Life Sciences [q-bio]
%Z Chemical Sciences/CristallographyJournal articles
%X The high-pressure behavior of LuFe2O4 is characterized based on synchrotron X-ray diffraction and neutron diffraction, resistivity measurements, X-ray absorption spectroscopy and infrared spectroscopy studies. The results obtained enabled us to propose a P-T phase diagram. In this study, the low pressure charge-ordering melting could be detected by synchrotron XRD in the P-T space. In addition to the ambient pressure monoclinic C2/m and rhombohedral R(3) over bar m phases, the possible P (1) over bar triclinic phase, the monoclinic high pressure form Pm and metastable modulated monoclinic phases were observed; the latter modulated monoclinic phases were not observed in the present neutron diffraction data. Furthermore, the transition to the Pm phase which was already characterized by strong kinetics is found to be favored at high temperature (373 K). Based on X-ray absorption spectroscopy data the Pm phase, which could be recovered at atmospheric pressure, can be explained by a change in the Fe-local environment from a five-fold coordination to a distorted 5 + 1 one.
%G English
%2 https://hal.umontpellier.fr/hal-01826289/document
%2 https://hal.umontpellier.fr/hal-01826289/file/Crystals_8_184.pdf
%L hal-01826289
%U https://hal.umontpellier.fr/hal-01826289
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