SIMULATION OF SILICON CLUSTERS AND SURFACES VIA TIGHT-BINDING MOLECULAR-DYNAMICS

被引：84

作者：

KHAN, FS

BROUGHTON, JQ

机构：

[1] BROOKHAVEN NATL LAB,DEPT PHYS,UPTON,NY 11973

[2] USN,RES LAB,DIV CONDENSED MATTER & RADIAT,CONDENSED MATTER PHYS BRANCH,WASHINGTON,DC 20375

来源：

PHYSICAL REVIEW B | 1989年 / 39卷 / 06期

关键词：

D O I：

10.1103/PhysRevB.39.3688

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：3688 / 3700

页数：13

共 26 条

[1] COMPUTATIONAL STATISTICAL-MECHANICS METHODOLOGY, APPLICATIONS AND SUPERCOMPUTING [J].

ABRAHAM, FF .

ADVANCES IN PHYSICS, 1986, 35 (01) :1-111

[2]

ALERHAND OL, 1986, PHYS REV B, V35, P1

[3] SURFACE RECONSTRUCTION AND LATTICE-DYNAMICS OF HYDROGENATED SI(001)-2X1 [J].

ALLAN, DC ;

MELE, EJ .

PHYSICAL REVIEW B, 1985, 31 (08) :5565-5568

[4] A VALENCE FORCE-FIELD FOR THE SILICON CRYSTAL [J].

ALTMANN, SL ;

LAPICCIRELLA, A ;

LODGE, KW ;

TOMASSINI, N .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1982, 15 (27) :5581-5591

[5] SOME MULTISTEP METHODS FOR USE IN MOLECULAR-DYNAMICS CALCULATIONS [J].

BEEMAN, D .

JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 20 (02) :130-139

[6] INTERATOMIC POTENTIALS FOR SILICON STRUCTURAL ENERGIES [J].

BISWAS, R ;

HAMANN, DR .

PHYSICAL REVIEW LETTERS, 1985, 55 (19) :2001-2004

[7]

BROYDEN CG, 1965, MATH COMPUT, V19, P577, DOI DOI 10.1090/S0025-5718-1965-0198670-6

[8] STRUCTURAL, DYNAMICAL, AND ELECTRONIC-PROPERTIES OF AMORPHOUS-SILICON - AN ABINITIO MOLECULAR-DYNAMICS STUDY [J].

CAR, R ;

PARRINELLO, M .

PHYSICAL REVIEW LETTERS, 1988, 60 (03) :204-207

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

CAR, R ;

PARRINELLO, M .

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

[10] THEORETICAL-STUDY OF THE ATOMIC-STRUCTURE OF SILICON (211), (311), AND (331) SURFACES [J].

CHADI, DJ .

PHYSICAL REVIEW B, 1984, 29 (02) :785-792

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