SIMPLE APPROACH TO SELF-ENERGY CORRECTIONS IN SEMICONDUCTORS AND INSULATORS

被引:32
作者
JENKINS, SJ
SRIVASTAVA, GP
INKSON, JC
机构
[1] Semiconductor Physics Group, Department of Physics, University of Exeter, Exeter EX4 4QL, Stocker Road
来源
PHYSICAL REVIEW B | 1993年 / 48卷 / 07期
关键词
D O I
10.1103/PhysRevB.48.4388
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We have used the Sterne-Inkson [P. A. Sterne and J. C. Inkson, J. Phys. C 17, 1497 (1984)] extreme tight-binding model for the self-energy corrections to the top of the valence band and bottom of the conduction band within the GW approximation. Application of these corrections to both exchange-only local-density-approximation (LDA) calculations and the LDA with Ceperley-Alder correlation calculations for five materials C, Si, Ge, GaAs, and ZnSe has been found to result in good agreement with experimental data and recent theoretical results. The LDA calculations were performed by using the plane-wave-basis and norm-conserving pseudopotentials.
引用
收藏
页码:4388 / 4397
页数:10
相关论文
共 42 条
[1]  
[Anonymous], ELECTRONIC STRUCTURE
[2]   PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].
BACHELET, GB ;
HAMANN, DR ;
SCHLUTER, M .
PHYSICAL REVIEW B, 1982, 26 (08) :4199-4228
[3]   DIELECTRIC BAND-STRUCTURE OF SOLIDS [J].
BALDERESCHI, A ;
TOSATTI, E .
SOLID STATE COMMUNICATIONS, 1979, 29 (03) :131-135
[4]   AN EFFICIENT METHOD FOR CALCULATING QUASI-PARTICLE ENERGIES IN SEMICONDUCTORS [J].
BECHSTEDT, F ;
DELSOLE, R ;
CAPPELLINI, G ;
REINING, L .
SOLID STATE COMMUNICATIONS, 1992, 84 (07) :765-770
[5]   EXCHANGE AND CORRELATION POTENTIAL IN SILICON [J].
BENNETT, M ;
INKSON, JC .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (07) :987-999
[6]   GOOD SEMICONDUCTOR BAND-GAPS WITH A MODIFIED LOCAL-DENSITY APPROXIMATION [J].
BYLANDER, DM ;
KLEINMAN, L .
PHYSICAL REVIEW B, 1990, 41 (11) :7868-7871
[7]   GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].
CEPERLEY, DM ;
ALDER, BJ .
PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569
[8]   NONLOCAL PSEUDOPOTENTIAL CALCULATIONS FOR ELECTRONIC-STRUCTURE OF 11 DIAMOND AND ZINCBLENDE SEMICONDUCTORS [J].
CHELIKOWSKY, JR ;
COHEN, ML .
PHYSICAL REVIEW B, 1976, 14 (02) :556-582
[9]   HARTREE-FOCK AND LOWEST-ORDER VERTEX-CORRECTION CONTRIBUTION TO THE DIRECT GAP OF THE SEMICONDUCTOR SILICON [J].
DALING, R ;
VANHAERINGEN, W .
PHYSICAL REVIEW B, 1989, 40 (17) :11659-11665
[10]   CALCULATION OF THE GW SELF-ENERGY IN SEMICONDUCTING CRYSTALS [J].
ENGEL, GE ;
FARID, B ;
NEX, CMM ;
MARCH, NH .
PHYSICAL REVIEW B, 1991, 44 (24) :13356-13373