Bonding trends within ternary isocoordinate chalcogenide glasses GexAsySe1-x-y

Opletal, G, Wang, R and Russo, S 2013, 'Bonding trends within ternary isocoordinate chalcogenide glasses GexAsySe1-x-y', Physical Chemistry Chemical Physics, vol. 15, no. 13, pp. 4582-4588.


Document type: Journal Article
Collection: Journal Articles

Title Bonding trends within ternary isocoordinate chalcogenide glasses GexAsySe1-x-y
Author(s) Opletal, G
Wang, R
Russo, S
Year 2013
Journal name Physical Chemistry Chemical Physics
Volume number 15
Issue number 13
Start page 4582
End page 4588
Total pages 7
Publisher RSC Publications
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.
Subject Condensed Matter Modelling and Density Functional Theory
DOI - identifier 10.1039/c3cp43364a
Copyright notice This Journal is © the Owner Societies 2013
ISSN 1463-9076
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Citation counts: TR Web of Science Citation Count  Cited 7 times in Thomson Reuters Web of Science Article | Citations
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