PSEUDOPOTENTIAL TOTAL-ENERGY STUDY OF THE TRANSITION FROM RHOMBOHEDRAL GRAPHITE TO DIAMOND

被引：199

作者：

FAHY, S ^{[1
]}

LOUIE, SG ^{[1
]}

COHEN, ML ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB, DIV COMP SCI, BERKELEY, CA 94720 USA

来源：

PHYSICAL REVIEW B | 1986年 / 34卷 / 02期

关键词：

D O I：

10.1103/PhysRevB.34.1191

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：1191 / 1199

页数：9

共 27 条

[1] The structure of graphite [J].

Bernal, JD .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-CONTAINING PAPERS OF A MATHEMATICAL AND PHYSICAL CHARACTER, 1924, 106 (740) :749-773

[2]

BREWER L, LBL3720 REP

[3] APPLICATION OF A GENERAL SELF-CONSISTENCY SCHEME IN THE LINEAR COMBINATION OF ATOMIC ORBITALS FORMALISM TO THE ELECTRONIC AND STRUCTURAL-PROPERTIES OF SI AND W [J].

CHAN, CT ;

VANDERBILT, D ;

LOUIE, SG .

PHYSICAL REVIEW B, 1986, 33 (04) :2455-2464

[4]

CHAN CT, 1986, PHYS REV B, V34, pE8791

[5] PRESSURE COEFFICIENTS OF BAND-GAPS IN SEMICONDUCTORS [J].

CHANG, KJ ;

FROYEN, S ;

COHEN, ML .

SOLID STATE COMMUNICATIONS, 1984, 50 (02) :105-107

[6] 1ST-PRINCIPLES LINEAR COMBINATION OF ATOMIC ORBITALS METHOD FOR THE COHESIVE AND STRUCTURAL-PROPERTIES OF SOLIDS - APPLICATION TO DIAMOND [J].

CHELIKOWSKY, JR ;

LOUIE, SG .

PHYSICAL REVIEW B, 1984, 29 (06) :3470-3481

[7]

DRICKAMER HG, 1965, SOLID STATE PHYSICS, V17

[8]

FAHY S, UNPUB

[9]

FALICOV LM, 1966, GROUP THEORY ITS PHY, P133

[10] BAND STRUCTURE OF RHOMBOHEDRAL GRAPHITE [J].

HAERING, RR .

CANADIAN JOURNAL OF PHYSICS, 1958, 36 (03) :352-362

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