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Issue 13, 2013
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Bonding trends within ternary isocoordinate chalcogenide glasses GexAsySe1−xy

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Abstract

A structural study is presented of ab initio molecular dynamics simulations of Ge–As–Se chalcogenide 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.

Graphical abstract: Bonding trends within ternary isocoordinate chalcogenide glasses GexAsySe1−x−y

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Publication details

The article was received on 24 Sep 2012, accepted on 11 Feb 2013 and first published on 13 Feb 2013


Article type: Paper
DOI: 10.1039/C3CP43364A
Citation: Phys. Chem. Chem. Phys., 2013,15, 4582-4588
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    Bonding trends within ternary isocoordinate chalcogenide glasses GexAsySe1−xy

    G. Opletal, R. P. Wang and S. P. Russo, Phys. Chem. Chem. Phys., 2013, 15, 4582
    DOI: 10.1039/C3CP43364A

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