REVERSE MONTE-CARLO APPROACH TO THE STRUCTURE OF AMORPHOUS-SEMICONDUCTORS

被引：6
|
作者：
PUSZTAI, L
GEREBEN, O
机构：
[1] Laboratory of Theoretical Chemistry, L. Eötvös University, Budapest, H-1518
来源：
JOURNAL OF NON-CRYSTALLINE SOLIDS | 1995年 / 193卷
关键词：
D O I：
10.1016/0022-3093(95)00455-6
中图分类号：
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
It is shown that the use of reverse Monte Carlo simulation provides valuable contributions along the entire route from the experimental structure factor to three-dimensional structural models. In particular, the estimation of the microscopic number density and the evaluation of the pair correlation function is described for some elemental amorphous semiconductors. The importance of generating different atomic models of these materials using geometrical constraints is also emphasized.
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页码：640 / 643
页数：4
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