USE OF REPRESENTATIVE POINTS OF BRILLOUIN ZONE FOR SELF-CONSISTENT CALCULATIONS OF SOLIDS IN LARGE UNIT-CELL APPROACH

被引:41
作者
EVARESTOV, RA [1 ]
机构
[1] LENINGRAD STATE UNIV,QUANTUM CHEM DEPT,LENINGRAD,USSR
来源
PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1975年 / 72卷 / 02期
关键词
D O I
10.1002/pssb.2220720213
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:569 / 578
页数:10
相关论文
共 26 条
[1]  
BENNETT A, 1974, PHYS REV B, V3, P1397
[2]   INDO AND MINDO/2 CRYSTAL ORBITAL STUDY OF POLYACETYLENE, POLYETHYLENE, AND POLYGLYCINE [J].
BEVERIDGE, DL ;
LADIK, J .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (10) :4744-+
[3]  
BROWN DA, 1972, INORG CHIM ACTA REV, V6, P7
[4]   X-RAY AND NEUTRON DIFFRACTION ANALYSIS OF LITHIUM HYDRIDE [J].
CALDER, RS ;
LOWDE, RD ;
GRIFFITHS, D ;
COCHRAN, W .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1962, 23 (JUN) :621-&
[5]   SPECIAL POINTS IN BRILLOUIN ZONE [J].
CHADI, DJ ;
COHEN, ML .
PHYSICAL REVIEW B, 1973, 8 (12) :5747-5753
[6]   ELECTRONIC-STRUCTURE OF HG1-XCDX TE ALLOYS AND CHARGE-DENSITY CALCULATIONS USING REPRESENTATIVE K POINTS [J].
CHADI, DJ ;
COHEN, ML .
PHYSICAL REVIEW B, 1973, 7 (02) :692-699
[7]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&
[8]   SELF-CONSISTENT ENERGY BANDS AND COHESIVE ENERGY OF POTASSIUM CHLORIDE [J].
DECICCO, PD .
PHYSICAL REVIEW, 1967, 153 (03) :931-&
[9]   QUASIMOLECULAR LARGE UNIT-CELL MODEL IN THEORY OF DEEP LEVELS IN IMPERFECT CRYSTALS - POINT-DEFECTS IN GRAPHITIC BORON-NITRIDE [J].
DOBROTVO.AM ;
EVARESTO.RA .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1974, 66 (01) :83-91
[10]  
DOBROTVORSKII AM, 1972, VESTNIK LENINGRADSK, V22, P45