SHELL-MODEL CALCULATIONS OF POINT-DEFECT FORMATION ENERGIES IN CUBIC IONIC-CRYSTALS

被引：30

作者：

RICHARDSON, DD

机构：

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1982年 / 28卷 / 01期

关键词：

D O I：

10.1016/0010-4655(82)90064-9

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

引用

页码：75 / 101

页数：27

共 23 条

[1]

Born M, 1954, DYNAMICAL THEORY CRY

[2] ION-TRANSPORT AND INTERATOMIC POTENTIALS IN ALKALINE-EARTH-FLUORIDE CRYSTALS [J].

CATLOW, CRA ;

NORGETT, MJ ;

ROSS, TA .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (10) :1627-1640

[3] DEFECT ENERGETICS IN ALPHA-AL2O3 AND RUTILE TIO2 [J].

CATLOW, CRA ;

JAMES, R ;

MACKRODT, WC ;

STEWART, RF .

PHYSICAL REVIEW B, 1982, 25 (02) :1006-1026

[4] SHELL-MODEL CALCULATIONS OF ENERGIES OF FORMATION OF POINT-DEFECTS IN ALKALINE-EARTH FLUORIDES [J].

CATLOW, CRA ;

NORGETT, MJ .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1973, 6 (08) :1325-1339

[5] INTERIONIC POTENTIALS FOR ALKALI-HALIDES [J].

CATLOW, CRA ;

DILLER, KM ;

NORGETT, MJ .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (09) :1395-1412

[6] SHELL AND BREATHING SHELL-MODEL CALCULATIONS FOR DEFECT FORMATION ENERGIES AND VOLUMES IN MAGNESIUM-OXIDE [J].

CATLOW, CRA ;

FAUX, ID ;

NORGETT, MJ .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1976, 9 (03) :419-429

[7]

Cochran W., 1971, Critical Reviews in Solid State Sciences, V2, P1, DOI 10.1080/10408437108243425

[8]

DENNIS JE, 1977, SIAM REV, V19, P48

[9]

FLETCHER R, 1973, UKAEA TP519 HARW REP

[10] BORN MODEL CALCULATION OF DEFECT ENERGIES IN CAF2 [J].

FRANKLIN, AD .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1968, 29 (05) :823-&

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