MOLECULAR-DYNAMICS APPROACH TO LATTICE-RELAXATION EFFECTS ON DEEP LEVELS IN SEMICONDUCTORS

被引：8
|
作者：
LI, WG
MYLES, CW
机构：
[1] Department of Physics and Engineering Physics, Texas Tech University, Lubbock
来源：
PHYSICAL REVIEW B | 1991年 / 43卷 / 12期
关键词：
D O I：
10.1103/PhysRevB.43.9947
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A tight-binding formalism for calculating the effects of lattice relaxation on deep levels due to substitutional impurities in semiconductors is presented. Molecular dynamics is used to calculate the lattice relaxation around an impurity, and its effects on the associated deep levels are computed using a Green's-function method. The results of applying this scheme to several impurities in GaP and Si are presented and compared with experiment.
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页码：9947 / 9950
页数：4
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