THEORY OF ENERGY-BANDS AND RELATED PROPERTIES OF 4D TRANSITION-METALS .1. BAND PARAMETERS AND THEIR VOLUME DEPENDENCE

被引:364
作者
PETTIFOR, DG [1 ]
机构
[1] UNIV CAMBRIDGE, CAVENDISH LAB, CAMBRIDGE CB3 OHE, ENGLAND
来源
JOURNAL OF PHYSICS F-METAL PHYSICS | 1977年 / 7卷 / 04期
关键词
D O I
10.1088/0305-4608/7/4/013
中图分类号
O59 [应用物理学];
学科分类号
摘要
引用
收藏
页码:613 / 633
页数:21
相关论文
共 39 条
[31]  
PETTIFOR DG, TO BE PUBLISHED
[32]  
PETTIFOR DG, 1972, METALLURGICAL CHEM, P191
[33]   OPTIMIZATION OF STATISTICAL EXCHANGE PARAMETER-ALPHA FOR FREE ATOMS H THROUGH NB [J].
SCHWARZ, K .
PHYSICAL REVIEW B-SOLID STATE, 1972, 5 (07) :2466-&
[34]   SIMPLIFIED LCAO METHOD FOR THE PERIODIC POTENTIAL PROBLEM [J].
SLATER, JC ;
KOSTER, GF .
PHYSICAL REVIEW, 1954, 94 (06) :1498-1524
[35]  
Slater JC, 1974, SELF CONSISTENT FIEL
[36]   TOTAL ENERGY AS A FUNCTION OF LATTICE-PARAMETER FOR COPPER VIA SELF-CONSISTENT AUGMENTED-PLANE-WAVE METHOD [J].
SNOW, EC .
PHYSICAL REVIEW B, 1973, 8 (12) :5391-5397
[37]   LOCAL EXCHANGE-CORRELATION POTENTIAL FOR SPIN POLARIZED CASE .1. [J].
VONBARTH, U ;
HEDIN, L .
JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1972, 5 (13) :1629-+
[38]   On the constitution of metallic sodium [J].
Wigner, E ;
Seitz, F .
PHYSICAL REVIEW, 1933, 43 (10) :0804-0810
[39]   NONRELATIVISTIC SCF ATOMIC PROGRAM TO COMPUTE ONE-ELECTRON ENERGIES, TOTAL ENERGIES, AND SLATER INTEGRALS [J].
WOOD, JH ;
BORING, M .
COMPUTER PHYSICS COMMUNICATIONS, 1974, 7 (02) :73-84