Tight-binding sp3d5 Hamiltonian for Si

被引：7

作者：

Ren, SY

Chen, X

Dow, JD ^{[1
]}

机构：

[1] Arizona State Univ, Dept Phys & Astron, Tempe, AZ 85287 USA

[2] Peking Univ, Dept Phys, Beijing 100871, Peoples R China

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 1998年 / 59卷 / 03期

关键词：

D O I：

10.1016/S0022-3697(97)00190-X

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A new nearest-neighbor empirical tight-binding Hamiltonian is obtained for the homopolar cubic an sp (3)d(5) basis centered on each site, is an 18 X 18 matrix at elemental semiconductor Si. The Hamiltonian features each wavevector in the Brillouin zone, and has 13 adjusted parameters. This Hamiltonian provides a good description of both the valence and conduction bands of Si. (C) 1997 Published by Elsevier Science Ltd.

引用

收藏

页码：403 / 410

页数：8

相关论文

共 37 条

[1] ELECTRONIC-ENERGY LEVELS OF POINT-DEFECTS AT THE GASB (110) SURFACE [J].

ALLEN, RE ;

DOW, JD ;

HJALMARSON, HP .

SOLID STATE COMMUNICATIONS, 1982, 41 (05) :419-422

[2] BOUND AND RESONANT (110) SURFACE ELECTRONIC STATES FOR GAAS, GAP AND GASB [J].

BERES, RP ;

ALLEN, RE ;

DOW, JD .

SOLID STATE COMMUNICATIONS, 1983, 45 (01) :13-16

[3] SURFACE-STATES AND SURFACE RESONANCES IN INP, INAS, AND INSB [J].

BERES, RP ;

ALLEN, RE ;

DOW, JD .

PHYSICAL REVIEW B, 1982, 26 (10) :5702-5705

[4] THEORY OF DEEP VACANCY LEVELS IN IN1-YGAYAS1-XPX [J].

BUISSON, JP ;

ALLEN, RE ;

DOW, JD .

JOURNAL DE PHYSIQUE, 1982, 43 (01) :181-183

[5] TIGHT-BINDING CALCULATIONS OF VALENCE BANDS OF DIAMOND AND ZINCBLENDE CRYSTALS [J].

CHADI, DJ ;

COHEN, ML .

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1975, 68 (01) :405-419

[6] 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

[7] DEEP LEVELS IN SUPERLATTICES [J].

DOW, JD ;

REN, SY ;

SHEN, J ;

HONG, RD ;

WANG, RP .

JOURNAL OF ELECTRONIC MATERIALS, 1990, 19 (08) :829-835

[8] ROLE OF DANGLING BONDS AND ANTISITE DEFECTS IN RAPID AND GRADUAL III-V LASER DEGRADATION [J].

DOW, JD ;

ALLEN, RE .

APPLIED PHYSICS LETTERS, 1982, 41 (07) :672-674

[9] SURFACE-DEFECTS AND FERMI-LEVEL PINNING IN INP [J].

DOW, JD ;

ALLEN, RE .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY, 1982, 20 (03) :659-661

[10]

DOW JD, 1988, NATO ADV SCI I SER B, V183

← 1 2 3 4 →