The structure of near stoichiometric Ge-Ga-Sb-S glasses A reverse Monte Carlo study

Abstract : The structure of Ge22Ga3Sb10S65 and Ge15Ga10Sb10S65 glasses was investigated by neutron diffraction (ND), X-ray diffraction (XRD), and extended X-ray absorption fine structure (EXAFS) measurements at the Ge, Ga and Sb K-edges. Experimental data sets were fitted simultaneously in the framework of the reverse Monte Carlo (RMC) simulation technique. Short range order parameters were determined from the obtained large-scale configurations. It was found that the coordination numbers of Ge, Sb and S are around the values predicted by the Mott-rule (4, 3 and 2, respectively). The Ga atoms have on average 4 nearest neighbors. The structure of these stoichiometric glasses can be described by the chemically ordered network model Ge-S, Ga-S and Sb-S bonds are the most important. Long Sb-S distances (0.3–0.4 Å higher than the usual covalent bond lengths) are observed, suggesting that Sb atoms can be found in various local environments. © 2018 Elsevier B.V.
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Submitted on : Wednesday, February 20, 2019 - 5:07:03 PM
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I. Pethes, V. Nazabal, R. Chahal, B. Bureau, I. Kaban, et al.. The structure of near stoichiometric Ge-Ga-Sb-S glasses A reverse Monte Carlo study. Journal of Non-Crystalline Solids, Elsevier, 2019, 505, pp.340-346. ⟨10.1016/j.jnoncrysol.2018.11.009⟩. ⟨hal-02043062⟩

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