GENERALIZATION OF BASIS FUNCTIONS OF LCAO METHOD FOR BAND-STRUCTURE CALCULATIONS

被引:60
作者
SIMMONS, JE
LIN, CC
FOUQUET, DF
LAFON, EE
CHANEY, RC
机构
[1] UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
[2] OKLAHOMA STATE UNIV,DEPT PHYS,STILLWATER,OK 74074
[3] UNIV TEXAS,DALLAS,RICHARDSON,TX 75080
来源
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1975年 / 8卷 / 10期
关键词
D O I
10.1088/0022-3719/8/10/011
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:1549 / 1562
页数:14
相关论文
共 20 条
[1]   SELF-CONSISTENT CALCULATION OF ENERGY-BANDS IN FERROMAGNETIC NICKEL [J].
CALLAWAY, J ;
WANG, CS .
PHYSICAL REVIEW B, 1973, 7 (03) :1096-1103
[2]   ENERGY BAND STRUCTURE OF LITHIUM FLUORIDE CRYSTALS BY METHOD OF TIGHT BINDING [J].
CHANEY, RC ;
LAFON, EE ;
LIN, CC .
PHYSICAL REVIEW B, 1971, 4 (08) :2734-&
[3]   APPLICATION OF GAUSSIAN-TYPE ORBITALS FOR CALCULATING ENERGY BAND STRUCTURES OF SOLIDS BY METHOD OF TIGHT BINDING [J].
CHANEY, RC ;
TUNG, TK ;
LIN, CC ;
LAFON, EE .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (01) :361-&
[4]   APPLICATION OF METHOD OF TIGHT BINDING TO CALCULATION OF ENERGY BAND STRUCTURES OF DIAMOND, SILICON, AND SODIUM CRYSTALS [J].
CHANEY, RC ;
LIN, CC ;
LAFON, EE .
PHYSICAL REVIEW B, 1971, 3 (02) :459-&
[5]  
CHANEY RC, 1974, 8 INT J QUANT CHEM S, P465
[6]   INTERBAND OPTICAL CONDUCTIVITY OF POTASSIUM [J].
CHING, WY ;
CALLAWAY, J .
PHYSICAL REVIEW LETTERS, 1973, 30 (10) :441-443
[7]   BAND-STRUCTURE, COHESIVE ENERGY, OPTICAL CONDUCTIVITY, AND COMPTON PROFILE OF LITHIUM [J].
CHING, WY ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1974, 9 (12) :5115-5121
[9]  
Clementi E., 1966, J COMPUT PHYS, V1, P223
[10]  
COTTON FA, 1972, ADV INORGANIC CHEMIS