QUANTUM-CHEMICAL SIMULATION OF IMPURITY-INDUCED TRAPPING OF A HOLE - [LI]0 CENTER IN MGO

被引:42
作者
SHLUGER, AL [1 ]
KOTOMIN, EA [1 ]
KANTOROVICH, LN [1 ]
机构
[1] RIGA MED INST, PHYSICOMED PROBLEM GRP, RIGA, LATVIA, USSR
来源
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1986年 / 19卷 / 22期
关键词
D O I
10.1088/0022-3719/19/22/007
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:4183 / 4199
页数:17
相关论文
共 86 条
[11]   BASIC ATOMIC PROCESSES OF CORROSION .1. ELECTRONIC CONDUCTION IN MNO, COO AND NIO [J].
CATLOW, CRA ;
MACKRODT, WC ;
NORGETT, MJ ;
STONEHAM, AM .
PHILOSOPHICAL MAGAZINE, 1977, 35 (01) :177-187
[12]  
CATLOW CRA, 1982, COMPUTER SIMULATIONS
[13]   HIGH-PRESSURE BEHAVIOR OF MGO - STRUCTURAL AND ELECTRONIC-PROPERTIES [J].
CHANG, KJ ;
COHEN, ML .
PHYSICAL REVIEW B, 1984, 30 (08) :4774-4781
[14]  
DALI DF, 1967, PHYS REV LETT, V19, P637
[15]   EXISTENCE OF FREE AND SELF-TRAPPED CARRIERS IN INSULATORS - ABRUPT TEMPERATURE-DEPENDENT CONDUCTIVITY TRANSITION [J].
EMIN, D .
ADVANCES IN PHYSICS, 1973, 22 (01) :57-116
[16]   SEMI-EMPIRICAL CALCULATIONS OF THE IMPURITY LEVEL POSITIONS WITH RESPECT TO THE PERFECT CRYSTAL BANDS [J].
ERMOSHKIN, AN ;
KOTOMIN, EA ;
EVARESTOV, RA .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1981, 103 (02) :581-587
[17]  
ERMOSHKIN AN, 1981, POINT DEFECTS LUMINE, P3
[18]   LARGE UNIT-CELL CALCULATIONS OF SOLIDS IN CNDO APPROXIMATION [J].
EVARESTOV, RA ;
LOVCHIKOV, VA .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1977, 79 (02) :743-751
[19]   USE OF THE SYMMETRY-ADAPTED ATOMIC ORBITALS IN THE LARGE UNIT-CELL APPROACH TO SOLIDS [J].
EVARESTOV, RA ;
LOVCHIKOV, VA .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1979, 93 (02) :469-482
[20]   MOLECULAR CLUSTER APPROACH TO MAGNESIUM AND CALCIUM-OXIDE CRYSTALS .3. CHARGE-DISTRIBUTION ANALYSIS OF SOME HOLE-CENTERS [J].
EVARESTOV, RA ;
ERMOSHKIN, AN ;
KOTOMIN, EA .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1976, 73 (02) :483-486