DEFECT PARAMETERS IN THE ALKALI-HALIDES

被引：2

作者：

HARDING, JH

机构：

[1] Theoretical Studies Department, Harwell Laboratory, Oxfordshire

来源：

RADIATION EFFECTS AND DEFECTS IN SOLIDS | 1991年 / 119卷

关键词：

D O I：

10.1080/10420159108224885

中图分类号：

TL [原子能技术]; O571 [原子核物理学];

学科分类号：

0827 ; 082701 ;

摘要：

Methods are available which calculate the free energies of defects in ionic systems within the quasi-harmonic approximation. The Harwell SHEOL code is used to calculate the defect enthalpies and entropies for a number of alkali halides where reliable diffusion data are known. We discuss the trends in the calculations and the comparison with experiment. © 1991, Taylor & Francis Group, LLC. All rights reserved.

引用

页码：257 / 262

页数：6

共 18 条

[1] IONIC-CONDUCTIVITY OF KCL [J].

ACUNA, LA ;

JACOBS, PWM .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1980, 41 (06) :595-604

[2]

Allen N.L., 1987, ADV CERAM, V23, P257

[3] THE THERMODYNAMICS OF CHARACTERISTIC DEFECT PARAMETERS [J].

CATLOW, CRA ;

CORISH, J ;

JACOBS, PWM ;

LIDIARD, AB .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1981, 14 (06) :L121-L125

[4]

CATLOW CRA, 1982, COMPUTER SIMULATION, pCG1

[5] SPECIAL POINTS IN BRILLOUIN ZONE [J].

CHADI, DJ ;

COHEN, ML .

PHYSICAL REVIEW B, 1973, 8 (12) :5747-5753

[6]

Chandra S., 1970, Canadian Journal of Physics, V48, P397, DOI 10.1139/p70-055

[7] LATTICE-DYNAMICAL APPLICATIONS TO CRYSTALLOGRAPHIC PROBLEMS - CONSIDERATION OF BRILLOUIN ZONE SAMPLING [J].

FILIPPINI, G ;

GRAMACCIOLI, CM ;

SIMONETTA, M ;

SUFFRITTI, GB .

ACTA CRYSTALLOGRAPHICA SECTION A, 1976, 32 (MAR1) :259-264

[8] A COMPARISON OF METHODS FOR CALCULATING DEFECT ENTROPIES IN IONIC-CRYSTALS [J].

GILLAN, MJ ;

HARDING, JH ;

LESLIE, M .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1988, 21 (32) :5465-5472

[9] ENTROPY OF A POINT-DEFECT IN AN IONIC-CRYSTAL [J].

GILLAN, MJ ;

JACOBS, PWM .

PHYSICAL REVIEW B, 1983, 28 (02) :759-777

[10] THE VOLUME OF FORMATION OF DEFECTS IN IONIC-CRYSTALS [J].

GILLAN, MJ .

PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1981, 43 (02) :301-312

← 1 2 →