Modeling InSe phase-change materials

被引:0
|
作者
Kohary, K [1 ]
Burlakov, VM [1 ]
Nguyen-Manh, D [1 ]
Pettifor, DG [1 ]
机构
[1] Univ Oxford, Dept Mat, Oxford OX1 3PH, England
关键词
D O I
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中图分类号
TP3 [计算技术、计算机技术];
学科分类号
0812 ;
摘要
The amorphous structure of ln(x)Se(y) has been studied by a first principles tight-binding molecular dynamics technique using the program package PLATO (Package for Linear-combination of Atomic Type Orbitals). The three-dimensional amorphous structures with different densities were prepared by quick quenching from the liquid phase. The characteristics of short-range order such as coordination numbers, radial and bond angle distributions, and ring statistics have been analyzed.
引用
收藏
页码:173 / 178
页数:6
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