Ab initio study of N impurity in amorphous germanium

被引：9
|
作者：
Venezuela, PPM
Fazzio, A
机构：
[1] Instituto de Física, Universidade de São Paulo, São Paulo, SP, 05389-970
来源：
PHYSICAL REVIEW LETTERS | 1996年 / 77卷 / 03期
关键词：
D O I：
10.1103/PhysRevLett.77.546
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The electronic and structural properties of N-atom-doped amorphous germanium are obtained by ab initio, total energy calculations. We find that the 3-fold coordinated N impurity (N-3) and the 4-fold coordinated N impurity (N-4) present negative effective Coulombic interactions. Analysis of these results shows that the electrical effect of n-type doping due to N atoms is not related only to chemical equilibrium between N-3 and N-4.
引用
收藏
页码：546 / 549
页数：4
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