Structural analysis of models for AsxS1−x glasses |
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Authors: | Satoshi Itoh Takeo Fujiwara Makoto Okazaki |
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Affiliation: | Institute of Materials Science, University of Tsukuba, Ibaraki 305, Japan |
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Abstract: | The structural models of chalcogenide glasses AsxS1?x for x = 0.2 and 0.5 have been constructed by the three-step procedure and the characteristic dependence of atomic scale structure on the As content has been analysed. The AsS bonds are most favorable and the distributions of bond lengths and bond angles are very narrow around their minimum energy configurations. The glass of x = 0.2 consists of cross-linked linear chains and the number of molecular units increases drastically in the range of x = 0.4 ≈ 0.5. Furthermore, the two-dimensional network cannot be seen for x = 0.2 and 0.5, which is the essential difference from the glass with x = 0.4. |
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