Home > Publications database > The structure of near stoichiometric Ge-Ga-Sb-S glasses: A reverse Monte Carlo study > print |
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100 | 1 | _ | |a Pethes, I. |0 0000-0002-1931-1584 |b 0 |e Corresponding author |
245 | _ | _ | |a The structure of near stoichiometric Ge-Ga-Sb-S glasses: A reverse Monte Carlo study |
260 | _ | _ | |a Amsterdam [u.a.] |c 2019 |b Elsevier Science |
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500 | _ | _ | |a © Elsevier B.V. |
520 | _ | _ | |a The structure of Ge$_{22}$Ga$_3$Sb$_{10}$S$_{65}$ and Ge$_{15}$Ga$_{10}$Sb$_{10}$S$_{65}$ 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. |
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700 | 1 | _ | |a Nazabal, V. |b 1 |
700 | 1 | _ | |a Chahal, R. |b 2 |
700 | 1 | _ | |a Bureau, B. |b 3 |
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773 | _ | _ | |a 10.1016/j.jnoncrysol.2018.11.009 |g Vol. 505, p. 340 - 346 |0 PERI:(DE-600)1500501-x |p 340 - 346 |t Journal of non-crystalline solids |v 505 |y 2019 |x 0022-3093 |
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