ABINITIO CALCULATION OF THE MICROSCOPIC PROPERTIES OF A GRAIN-BOUNDARY IN GERMANIUM

被引：1

作者：

PAYNE, MC ^{[1
]}

BRISTOWE, PD ^{[1
]}

JOANNOPOULOS, JD ^{[1
]}

机构：

[1] MIT,CAMBRIDGE,MA 02139

来源：

JOURNAL DE PHYSIQUE | 1988年 / 49卷 / C-5期

关键词：

D O I：

10.1051/jphyscol:1988512

中图分类号：

学科分类号：

摘要：

引用

页码：151 / 155

页数：5

共 13 条

[1] ATOMIC-STRUCTURE OF GRAIN-BOUNDARIES IN SEMICONDUCTORS STUDIED BY ELECTRON-MICROSCOPY (ANALOGY AND DIFFERENCES WITH SURFACES) [J].

BOURRET, A ;

BACMANN, JJ .

SURFACE SCIENCE, 1985, 162 (1-3) :495-509

[2] UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].

CAR, R ;

PARRINELLO, M .

PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474

[3] ELECTRONIC AND STRUCTURAL-PROPERTIES OF A TWIN BOUNDARY IN SI [J].

DIVINCENZO, DP ;

ALERHAND, OL ;

SCHLUTER, M ;

WILKINS, JW .

PHYSICAL REVIEW LETTERS, 1986, 56 (18) :1925-1928

[4] GRAIN-BOUNDARIES IN SEMICONDUCTORS [J].

GROVENOR, CRM .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1985, 18 (21) :4079-4119

[5] SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS [J].

CHADI, DJ .

PHYSICAL REVIEW B, 1977, 16 (04) :1746-1747

[6] MOLECULAR-DYNAMICS AND ABINITIO TOTAL ENERGY CALCULATIONS [J].

PAYNE, MC ;

JOANNOPOULOS, JD ;

ALLAN, DC ;

TETER, MP ;

VANDERBILT, DH .

PHYSICAL REVIEW LETTERS, 1986, 56 (24) :2656-2656

[7] ABINITIO DETERMINATION OF THE STRUCTURE OF A GRAIN-BOUNDARY BY SIMULATED QUENCHING [J].

PAYNE, MC ;

BRISTOWE, PD ;

JOANNOPOULOS, JD .

PHYSICAL REVIEW LETTERS, 1987, 58 (13) :1348-1351

[8]

PAYNE MC, IN PRESS

[9] SELF-INTERACTION CORRECTION TO DENSITY-FUNCTIONAL APPROXIMATIONS FOR MANY-ELECTRON SYSTEMS [J].

PERDEW, JP ;

ZUNGER, A .

PHYSICAL REVIEW B, 1981, 23 (10) :5048-5079

[10] GRAIN-BOUNDARY ENERGIES IN METALS FROM LOCAL-ELECTRON-DENSITY DISTRIBUTIONS [J].

SMITH, JR ;

FERRANTE, J .

PHYSICAL REVIEW B, 1986, 34 (04) :2238-2245

← 1 2 →