LINEAR AUGMENTED-SLATER-TYPE-ORBITAL METHOD FOR ELECTRONIC-STRUCTURE CALCULATIONS .3. STRUCTURAL AND COHESIVE ENERGIES OF THE 5D ELEMENTS LU-AU

被引：47
作者：
DAVENPORT, JW
WATSON, RE
WEINERT, M
机构：
来源：
PHYSICAL REVIEW B | 1985年 / 32卷 / 08期
关键词：
D O I：
10.1103/PhysRevB.32.4883
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
引用
收藏
页码：4883 / 4891
页数：9
相关论文
共 29 条
[1]  
[Anonymous], 2017, MATER LETT
[2]   EXCHANGE INTEGRAL MATRICES AND COHESIVE ENERGIES OF TRANSITION-METAL ATOMS [J].
BROOKS, MSS ;
JOHANSSON, B .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1983, 13 (10) :L197-L202
[3]  
BYLANDER BM, 1983, PHYS REV LETT, V51, P889
[4]   SELF-CONSISTENT SEMIRELATIVISTIC PSEUDOPOTENTIAL CALCULATION OF THE ENERGY-BANDS, COHESIVE ENERGY, AND BULK MODULUS OF W [J].
BYLANDER, DM ;
KLEINMAN, L .
PHYSICAL REVIEW B, 1983, 27 (06) :3152-3159
[5]   SELF-CONSISTENT RELATIVISTIC CALCULATION OF THE ENERGY-BANDS AND COHESIVE ENERGY OF W [J].
BYLANDER, DM ;
KLEINMAN, L .
PHYSICAL REVIEW B, 1984, 29 (04) :1534-1539
[6]   SPECIAL POINTS IN BRILLOUIN ZONE [J].
CHADI, DJ ;
COHEN, ML .
PHYSICAL REVIEW B, 1973, 8 (12) :5747-5753
[7]   LINEAR AUGMENTED-SLATER-TYPE-ORBITAL METHOD FOR ELECTRONIC-STRUCTURECALCULATIONS .2. BCC, FCC, AND HCP-W [J].
DAVENPORT, JW ;
WEINERT, M ;
WATSON, RE .
PHYSICAL REVIEW B, 1985, 32 (08) :4876-4882
[8]   LINEAR AUGMENTED SLATER-TYPE-ORBITAL METHOD FOR ELECTRONIC-STRUCTURE CALCULATIONS [J].
DAVENPORT, JW .
PHYSICAL REVIEW B, 1984, 29 (06) :2896-2904
[9]   DENSITY FUNCTIONAL THEORY OF 3D-TRANSITION ELEMENT ATOMS [J].
HARRIS, J ;
JONES, RO .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (07) :3316-3317
[10]   VIBRATIONAL FREQUENCIES AND STRUCTURAL-PROPERTIES OF TRANSITION-METALS VIA TOTAL-ENERGY CALCULATIONS [J].
HO, KM ;
FU, CL ;
HARMON, BN ;
WEBER, W ;
HAMANN, DR .
PHYSICAL REVIEW LETTERS, 1982, 49 (09) :673-676
123