Short range order of As_40-xCu_xTe₆₀ glasses

Pal Jóvári (1) , Andrea Piarristeguy (2) , Jean-Baptiste Vaney (2, 3) , Ivan Kaban (4) , Andrea Zitolo (5) , Brigitte Beuneu (6) , Jozef Bednarčik (7) , Gaëlle Delaizir (8) , Judith Monnier (9) , Antonio P. Goncalves (10) , Christophe Candolfi (3)

1 Wigner Research Centre for Physics [Budapest]
2 ICGM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier
3 IJL - Institut Jean Lamour
4 IFW Dresden - Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden
5 SSOLEIL - Synchrotron SOLEIL
6 LLB - UMR 12 - Laboratoire Léon Brillouin
7 DESY - Deutsches Elektronen-Synchrotron [Hamburg]
8 IRCER-AXE3 - IRCER - Axe 3 : organisation structurale multiéchelle des matériaux
9 ICMPE - Institut de Chimie et des Matériaux Paris-Est
10 Instituto Superior Técnico

Short range order of As_40-xCu_xTe₆₀ (x = 0, 10, 20, 25, 30) glasses was studied by neutron- and X-ray diffraction, combined with extended X-ray absorption fine structure (EXAFS) measurements at the K-edges of all components. Large-scale structural models were generated by fitting the experimental datasets simultaneously in the framework of the reverse Monte Carlo simulation technique. These simulations revealed that As and Te atoms bind to about 3 and 2 As/Te neighbors, respectively, both of which possess Cu neighbors. The CuTe bond length is 2.57 ± 0.02 Å while the CuAs distance is as high as 2.86 ± 0.04 Å. The results further showed that besides As and Te, Cu atoms also bind to Cu. The total coordination number of Cu is significantly higher than 4 for the compositions x = 25 and 30.

Mots clés: Glass Modeling; Reverse Monte Carlo; Diffraction; EXAFS

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Pal Jóvári, Andrea Piarristeguy, Jean-Baptiste Vaney, Ivan Kaban, Andrea Zitolo, et al.. Short range order of As_40-xCu_xTe₆₀ glasses. Journal of Non-Crystalline Solids, 2018, 481, pp.202 - 207. ⟨10.1016/j.jnoncrysol.2017.10.046⟩. ⟨hal-01675929⟩