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	1st-principles calculations for quasi-particle energies of gap and gaas
	WANG, JQ; GU, ZQ; LI, MF
刊名	Physical review b
	1991-10-15
卷号	44期号:16页码:8707-8712
ISSN号	1098-0121
英文摘要	We have applied the green-function method in the gw approximation to calculate quasiparticle energies for the semiconductors gap and gaas. good agreement between the calculated excitation energies and the experimental results was achieved. we obtained calculated direct band gaps of gap and gaas of 2.93 and 1.42 ev, respectively, in comparison with the experimental values of 2.90 and 1.52 ev, respectively. an ab initio pseudopotential method has been used to generate basis wave functions and charge densities for calculating the dielectric matrix elements and self-enegies. to evaluate the dynamical effects of the screened interaction, the generalized-plasma-pole model has been utilized to extend the dielectric matrix elements from static results to finite frequencies. we presen the calculated quasiparticle energies at various high-symmetry points of the brillouin zone and compare them with the experimental results and other calculations.
WOS关键词	EXCHANGE-CORRELATION POTENTIALS ; DENSITY-FUNCTIONAL THEORY ; ZINCBLENDE SEMICONDUCTORS ; STRUCTURAL-PROPERTIES ; ELECTRON ; SILICON ; PSEUDOPOTENTIALS ; DISCONTINUITY ; APPROXIMATION ; INSULATORS
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
语种	英语
出版者	AMERICAN PHYSICAL SOC
WOS记录号	WOS:A1991GN30400032
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2428484
专题	半导体研究所
作者单位	1.INST SEMICOND, DEPT PHYS, BEIJING, PEOPLES R CHINA 2.UNIV SCI & TECHNOL CHINA, GRAD SCH, DEPT PHYS, BEIJING, PEOPLES R CHINA
推荐引用方式 GB/T 7714	WANG, JQ,GU, ZQ,LI, MF. 1st-principles calculations for quasi-particle energies of gap and gaas[J]. Physical review b,1991,44(16):8707-8712.
APA	WANG, JQ,GU, ZQ,&LI, MF.(1991).1st-principles calculations for quasi-particle energies of gap and gaas.Physical review b,44(16),8707-8712.
MLA	WANG, JQ,et al."1st-principles calculations for quasi-particle energies of gap and gaas".Physical review b 44.16(1991):8707-8712.

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