1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES FOR BAND STRUCTURES OF SEMICONDUCTORS

CORC > 半导体研究所 > 中国科学院半导体研究所 > 中国科学院半导体研究所（2009年前）

	1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES FOR BAND STRUCTURES OF SEMICONDUCTORS
	WANG JQ ; GU ZQ ; WANG BS ; LI MF
刊名	communications in theoretical physics
	1991
卷号	15 期号:2 页码:169-194
关键词	NORM-CONSERVING PSEUDOPOTENTIALS ANGLE-RESOLVED PHOTOEMISSION DENSITY-FUNCTIONAL THEORY GROUND-STATE ZINCBLENDE SEMICONDUCTORS CRYSTALLINE SILICON ELECTRON SI INSULATORS GAAS
ISSN号	0253-6102
通讯作者	wang jq acad sinica grad sch dept phys beijing 100039 peoples r china
中文摘要	we successfully applied the green function theory in gw approximation to calculate the quasiparticle energies for semiconductors si and gaas. ab initio pseudopotential method was adopted to generate basis wavefunctions and charge densities for calculating dielectric matrix elements and electron self-energies. to evaluate dynamical effects of screened interaction, gpp model was utilized to extend dieletric matrix elements from static results to finite frequencies. we give a full account of the theoretical background and the technical details for the first principle pseudopotential calculations of quasiparticle energies in semiconductors and insulators. careful analyses are given for the effective and accurate evaluations of dielectric matrix elements and quasiparticle self-energies by using the symmetry properties of basis wavefunctions and eigenenergies. good agreements between the calculated excitation energies and fundamental energy gaps and the experimental band structures were achieved.
学科主题	半导体物理
收录类别	SCI
语种	英语
公开日期	2010-11-15
内容类型	期刊论文
源URL	[http://ir.semi.ac.cn/handle/172111/14339]
专题	半导体研究所_中国科学院半导体研究所（2009年前）
推荐引用方式 GB/T 7714	WANG JQ,GU ZQ,WANG BS,et al. 1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES FOR BAND STRUCTURES OF SEMICONDUCTORS[J]. communications in theoretical physics,1991,15(2):169-194.
APA	WANG JQ,GU ZQ,WANG BS,&LI MF.(1991).1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES FOR BAND STRUCTURES OF SEMICONDUCTORS.communications in theoretical physics,15(2),169-194.
MLA	WANG JQ,et al."1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES FOR BAND STRUCTURES OF SEMICONDUCTORS".communications in theoretical physics 15.2(1991):169-194.