Bonding trends within ternary Isocoordinate chalcogenide glasses GeAsSe

Details Bonding trends within ternary Isocoordinate chalcogenide glasses GeAsSe Bonding trends within ternary Isocoordinate chalcogenide glasses GeAsSe

2012-02-17

arxiv.org/abs/1202.3825v1

Physics

Condensed Matter

Materials Science

26 pages, 9 figures. Submitted to Physical Review B

Scientific paper

A structural study is presented of ab-initio molecular dynamics simulations of Ge-As-Se calcogenide glasses performed at the same mean coordination number but differing stoichiometry ranging between Se rich and Se poor glasses. Starting configurations are generated via Reverse Monte Carlo (RMC) simulations of Extended X-ray Absorption Fine Structure (EXAFS) measurements of experimental samples. Structural analysis is presented illustrating the bonding trends found with changing stoichiometry.

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