PSEUDOPOTENTIAL LOCAL-SPIN-DENSITY CALCULATIONS FOR SI-2

被引：28

作者：

NORTHRUP, JE ^{[1
]}

YIN, MT ^{[1
]}

COHEN, ML ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB, DIV MAT & MOLEC RES, BERKELEY, CA 94720 USA

来源：

PHYSICAL REVIEW A | 1983年 / 28卷 / 04期

关键词：

D O I：

10.1103/PhysRevA.28.1945

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：1945 / 1950

页数：6

共 27 条

[21] RELIABILITY OF PSEUDOPOTENTIAL CHARGE-DENSITIES [J].

SCHLUTER, M ;

KERKER, G ;

HO, KM ;

COHEN, ML ;

ZUNGER, A .

PHYSICAL REVIEW LETTERS, 1979, 42 (08) :540-543

[22] ABSORPTION SPECTRUM OF SI2 MOLECULE [J].

VERMA, RD ;

WARSOP, PA .

CANADIAN JOURNAL OF PHYSICS, 1963, 41 (01) :152-&

[23] LOCAL EXCHANGE-CORRELATION POTENTIAL FOR SPIN POLARIZED CASE .1. [J].

VONBARTH, U ;

HEDIN, L .

JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1972, 5 (13) :1629-+

[24] LOCAL-DENSITY THEORY OF MULTIPLET STRUCTURE [J].

VONBARTH, U .

PHYSICAL REVIEW A, 1979, 20 (04) :1693-1703

[25] SPIN-POLARIZED BAND-STRUCTURE DETERMINATION OF THE SI-2 MOLECULAR GROUND-STATE BY THE METHOD OF FULL-POTENTIAL LINEARIZED AUGMENTED PLANE-WAVES [J].

WEINERT, M ;

WIMMER, E ;

FREEMAN, AJ ;

KRAKAUER, H .

PHYSICAL REVIEW LETTERS, 1981, 47 (10) :705-708

[26] THEORY OF STATIC STRUCTURAL-PROPERTIES, CRYSTAL STABILITY, AND PHASE-TRANSFORMATIONS - APPLICATION TO SI AND GE [J].

YIN, MT ;

COHEN, ML .

PHYSICAL REVIEW B, 1982, 26 (10) :5668-5687

[27] MICROSCOPIC THEORY OF THE PHASE-TRANSFORMATION AND LATTICE-DYNAMICS OF SI [J].

YIN, MT ;

COHEN, ML .

PHYSICAL REVIEW LETTERS, 1980, 45 (12) :1004-1007

← 1 2 3 →