ELECTRON-DENSITIES AND CHEMICAL BONDING IN TIC, TIN, AND TIO DERIVED FROM ENERGY-BAND CALCULATIONS

被引:118
作者
BLAHA, P
SCHWARZ, K
机构
关键词
D O I
10.1002/qua.560230435
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:1535 / 1552
页数:18
相关论文
共 15 条
[1]   LATTICE HARMONICS .I. CUBIC GROUPS [J].
ALTMANN, SL ;
CRACKNELL, AP .
REVIEWS OF MODERN PHYSICS, 1965, 37 (01) :19-+
[2]   LINEAR METHODS IN BAND THEORY [J].
ANDERSEN, OK .
PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083
[3]  
BURNS G, 1977, INTRO GROUP THEORY A
[4]   BAND-STRUCTURE OF TRANSITION-METAL COMPOUNDS [J].
CALAIS, JL .
ADVANCES IN PHYSICS, 1977, 26 (06) :847-885
[5]  
CONDON ER, 1953, THEORY ATOMIC SPECTR
[6]  
DUNAND A, UNPUB PHYS REV B
[7]   BULK-ENERGY-BAND STRUCTURE OF TIN - AN ANGLE-RESOLVED-PHOTOEMISSION STUDY OF THE (100) SURFACE [J].
JOHANSSON, LI ;
CALLENAS, A ;
STEFAN, PM ;
CHRISTENSEN, AN ;
SCHWARZ, K .
PHYSICAL REVIEW B, 1981, 24 (04) :1883-1894
[8]   USE OF ENERGY DERIVATIVE OF RADIAL SOLUTION IN AN AUGMENTED PLANE-WAVE METHOD - APPLICATION TO COPPER [J].
KOELLING, DD ;
ARBMAN, GO .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1975, 5 (11) :2041-2054
[9]   NUMERICAL CALCULATION OF DENSITY OF STATES AND RELATED PROPERTIES [J].
LEHMANN, G ;
TAUT, M .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1972, 54 (02) :469-477
[10]  
MCINTOSH HV, PLOT79 U UT COLL SCI