AN EFFICIENT METHOD FOR CALCULATING QUASI-PARTICLE ENERGIES IN SEMICONDUCTORS

被引：140

作者：

BECHSTEDT, F

DELSOLE, R

CAPPELLINI, G

REINING, L

机构：

[1] UNIV ROMA TOR VERGATA,DIPARTIMENTO FIS,I-00133 ROME,ITALY

[2] UNIV PARIS 11,CTR CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE

来源：

SOLID STATE COMMUNICATIONS | 1992年 / 84卷 / 07期

关键词：

D O I：

10.1016/0038-1098(92)90476-P

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We present a method for the efficient calculation of the electronic structure of semiconductors within the GW approach. It approximately includes dynamical-screening and local-field effects, previously disregarded in simplified GW approaches, without increasing the computational effort. Such effects substantially affect the gap corrections. We find quasiparticle shifts in good agreement with the complete GW calculations or experiment for Si, AlAs, GaAs and ZnSe.

引用

页码：765 / 770

页数：6

共 22 条

[1] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].

BACHELET, GB ;

HAMANN, DR ;

SCHLUTER, M .

PHYSICAL REVIEW B, 1982, 26 (08) :4199-4228

[2] MEAN-VALUE POINT AND DIELECTRIC PROPERTIES OF SEMICONDUCTORS AND INSULATORS [J].

BALDERESCHI, A ;

TOSATTI, E .

PHYSICAL REVIEW B, 1978, 17 (12) :4710-4717

[3] ANALYTICAL TREATMENT OF BAND-GAP UNDERESTIMATES IN THE LOCAL-DENSITY APPROXIMATION [J].

BECHSTEDT, F ;

DELSOLE, R .

PHYSICAL REVIEW B, 1988, 38 (11) :7710-7716

[4] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[5] VALENCE-BAND AND CONDUCTION-BAND DENSITIES OF STATES FOR TETRAHEDRAL SEMICONDUCTORS - THEORY AND EXPERIMENT [J].

CHELIKOWSKY, JR ;

WAGENER, TJ ;

WEAVER, JH ;

JIN, A .

PHYSICAL REVIEW B, 1989, 40 (14) :9644-9651

[6] THEORY OF ENERGY-BAND LINEUP AT AN ABRUPT SEMICONDUCTOR HETEROJUNCTION [J].

FRENSLEY, WR ;

KROEMER, H .

PHYSICAL REVIEW B, 1977, 16 (06) :2642-2652

[7] SELF-CONSISTENT HARTREE-FOCK AND SCREENED-EXCHANGE CALCULATIONS IN SOLIDS - APPLICATION TO SILICON [J].

GYGI, F ;

BALDERESCHI, A .

PHYSICAL REVIEW B, 1986, 34 (06) :4405-4408

[8] QUASIPARTICLE ENERGIES IN SEMICONDUCTORS - SELF-ENERGY CORRECTION TO THE LOCAL-DENSITY APPROXIMATION [J].

GYGI, F ;

BALDERESCHI, A .

PHYSICAL REVIEW LETTERS, 1989, 62 (18) :2160-2163

[9] NEW METHOD FOR CALCULATING 1-PARTICLE GREENS FUNCTION WITH APPLICATION TO ELECTRON-GAS PROBLEM [J].

HEDIN, L .

PHYSICAL REVIEW, 1965, 139 (3A) :A796-+

[10]

Hedin L., 1969, SOLID STATE PHYS, V23, DOI [10.1016/S0081-1947(08)60615-3, DOI 10.1016/S0081-1947(08)60615-3]

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