TY  - JOUR
AU  - Pethes, I.
AU  - Nazabal, V.
AU  - Chahal, R.
AU  - Bureau, B.
AU  - Kaban, I.
AU  - Beuneu, B.
AU  - Bednarcik, J.
AU  - Jóvári, P.
TI  - The structure of near stoichiometric Ge-Ga-Sb-S glasses: A reverse Monte Carlo study
JO  - Journal of non-crystalline solids
VL  - 505
SN  - 0022-3093
CY  - Amsterdam [u.a.]
PB  - Elsevier Science
M1  - PUBDB-2018-05497
SP  - 340 - 346
PY  - 2019
N1  - © Elsevier B.V.
AB  - The structure of Ge<sub>22</sub>Ga<sub>3</sub>Sb<sub>10</sub>S<sub>65</sub> and Ge<sub>15</sub>Ga<sub>10</sub>Sb<sub>10</sub>S<sub>65</sub> 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000459643000040
DO  - DOI:10.1016/j.jnoncrysol.2018.11.009
UR  - https://bib-pubdb1.desy.de/record/417264
ER  -