COMPARISON OF DIFFERENT APPROACHES TO THE STUDY OF LOCAL DEFECTS IN CRYSTALS .1. THEORETICAL CONSIDERATIONS AND COMPUTATIONAL SCHEMES

被引：26

作者：

PISANI, C

DOVESI, R

UGLIENGO, P

机构：

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1983年 / 116卷 / 01期

关键词：

D O I：

10.1002/pssb.2221160129

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

引用

页码：249 / 259

页数：11

共 18 条

[1] NEW SELF-CONSISTENT APPROACH TO THE ELECTRONIC-STRUCTURE OF LOCALIZED DEFECTS IN SOLIDS [J].

BARAFF, GA ;

SCHLUTER, M .

PHYSICAL REVIEW B, 1979, 19 (10) :4965-4979

[2] MODEL STUDIES OF CHEMISORPTION . INTERACTION BETWEEN ATOMIC-HYDROGEN AND BERYLLIUM CLUSTERS [J].

BAUSCHLICHER, CW ;

LISKOW, DH ;

BENDER, CF ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (12) :4815-4825

[3] SCATTERING-THEORETIC METHOD FOR DEFECTS IN SEMICONDUCTORS .2. SELF-CONSISTENT FORMULATION AND APPLICATION TO THE VACANCY IN SILICON [J].

BERNHOLC, J ;

LIPARI, NO ;

PANTELIDES, ST .

PHYSICAL REVIEW B, 1980, 21 (08) :3545-3562

[4] SCATTERING-THEORETIC METHOD FOR DEFECTS IN SEMICONDUCTORS .1. TIGHT-BINDING DESCRIPTION OF VACANCIES IN SI, GE, AND GAAS [J].

BERNHOLC, J ;

PANTELIDES, ST .

PHYSICAL REVIEW B, 1978, 18 (04) :1780-1789

[5] THEORY OF SCATTERING IN SOLIDS [J].

CALLAWAY, J .

JOURNAL OF MATHEMATICAL PHYSICS, 1964, 5 (06) :783-&

[6]

COX BN, 1961, SURFACE SCI, V102, P295

[7] CHEMISORPTION THEORY IN HARTREE-FOCK APPROXIMATION [J].

GRIMLEY, TB ;

PISANI, C .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1974, 7 (16) :2831-2848

[8] HYDROGEN CHEMISORPTION BY SPIN-DENSITY FUNCTIONAL FORMALISM .1. [J].

GUNNARSSON, O ;

HJELMBERG, H .

PHYSICA SCRIPTA, 1975, 11 (02) :97-103

[9] ABINITIO CALCULATIONS ON HYDROGEN-BOUNDED SILICON CLUSTERS [J].

KENTON, AC ;

RIBARSKY, MW .

PHYSICAL REVIEW B, 1981, 23 (06) :2897-2910

[10] WAVE FUNCTIONS FOR IMPURITY LEVELS [J].

KOSTER, GF ;

SLATER, JC .

PHYSICAL REVIEW, 1954, 95 (05) :1167-1176

← 1 2 →