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

被引：9
|
作者：
Opletal, George [1 ]
Wang, Rong P. [2 ]
Russo, Salvy P. [1 ]
机构：
[1] RMIT Univ, Sch Appl Sci, Dept Appl Phys, Melbourne, Vic 3000, Australia
[2] Australian Natl Univ, Res Sch Phys & Engn, Laser Phys Ctr, Ctr Ultrahigh Bandwidth Devices Opt Syst CUDOS, Canberra, ACT 0200, Australia
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2013年 / 15卷 / 13期
基金：
澳大利亚研究理事会;
关键词：
SE; MODELS;
D O I：
10.1039/c3cp43364a
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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.
引用
收藏
页码：4582 / 4588
页数：7
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