QUANTUM-CHEMICAL AND LATTICE-DEFECT HYBRID APPROACH TO CALCULATION OF DEFECTS IN METALS

被引：64

作者：

MELIUS, CF

BISSON, CL

WILSON, WD

机构：

来源：

PHYSICAL REVIEW B | 1978年 / 18卷 / 04期

关键词：

D O I：

10.1103/PhysRevB.18.1647

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：1647 / 1657

页数：11

共 14 条

[1] BASKES MI, UNPUBLISHED
[2] DAS G, 1972, ANL7955 ARG NAT LAB
[3] THEORY FOR FORCES BETWEEN CLOSED-SHELL ATOMS AND MOLECULES
GORDON, RG
KIM, YS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) : 3122 - &
[4] EMPIRICAL POTENTIALS AND THEIR USE IN CALCULATION OF ENERGIES OF POINT-DEFECTS IN METALS
JOHNSON, RA
[J]. JOURNAL OF PHYSICS F-METAL PHYSICS, 1973, 3 (02): : 295 - 321
[5] POINT-DEFECT CALCULATIONS FOR AN FCC LATTICE
JOHNSON, RA
[J]. PHYSICAL REVIEW, 1966, 145 (02): : 423 - &
[6] MOLECULAR-COMPLEX MODEL FOR CHEMISORPTION OF HYDROGEN ON A NICKEL SURFACE
MELIUS, CF
MOSKOWITZ, JW
MORTOLA, AP
BAILLIE, MB
RATNER, MA
[J]. SURFACE SCIENCE, 1976, 59 (01) : 279 - 292
[7] MELIUS CF, UNPUBLISHED
[8] PITZER RM, COMMUNICATION, P4102
[9] THOMAS GE, COMMUNICATION
[10] INERT GASES IN SOLIDS - INTERATOMIC POTENTIALS AND THEIR INFLUENCE ON RARE-GAS MOBILITY
WILSON, WD
BISSON, CL
[J]. PHYSICAL REVIEW B, 1971, 3 (12): : 3984 - &