The structure of near stoichiometric Ge-Ga-Sb-S glasses: A reverse Monte Carlo study
作者： I. Pethes , V. Nazabal , R. Chahal , B. Bureau , I. Kaban
DOI: 10.1016/J.JNONCRYSOL.2018.11.009
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摘要: Abstract The structure of Ge22Ga3Sb10S65 and Ge15Ga10Sb10S65 glasses was investigated by neutron diffraction (ND), X-ray (XRD), extended absorption fine (EXAFS) measurements at the Ge, Ga Sb K-edges. Experimental data sets were fitted simultaneously in framework reverse Monte Carlo (RMC) simulation technique. Short range order parameters determined from obtained large-scale configurations. It found that coordination numbers S are around values predicted Mott-rule (4, 3 2, respectively). atoms have on average 4 nearest neighbors. these stoichiometric can be described chemically ordered network model: Ge-S, Ga-S Sb-S bonds most important. Long distances (0.3–0.4 A higher than usual covalent bond lengths) observed, suggesting various local environments.
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