VIBRATIONAL FREQUENCIES AND STRUCTURAL-PROPERTIES OF TRANSITION-METALS VIA TOTAL-ENERGY CALCULATIONS

被引：141

作者：

HO, KM

FU, CL

HARMON, BN

WEBER, W

HAMANN, DR

机构：

[1] IOWA STATE UNIV SCI & TECHNOL,DEPT PHYS,AMES,IA 50011

[2] KERNFORSCHUNGSZENTRUM KARLSRUHE GMBH,INST ANGEW KERNPHYS 1,D-7500 KARLSRUHE 1,FED REP GER

[3] BELL TEL LABS INC,MURRAY HILL,NJ 07974

来源：

关键词：

D O I：

10.1103/PhysRevLett.49.673

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：673 / 676

页数：4

共 31 条

[1] CHARGE-DENSITY DISTORTIONS AND LATTICE-DYNAMICS - GENERAL THEORY AND APPLICATION TO NB
ALLEN, PB
[J]. PHYSICAL REVIEW B, 1977, 16 (12): : 5139 - 5146
[2] NORM-CONSERVING PSEUDOPOTENTIALS
HAMANN, DR
SCHLUTER, M
CHIANG, C
[J]. PHYSICAL REVIEW LETTERS, 1979, 43 (20) : 1494 - 1497
[3] HANKE W, 1976, PHYS REV LETT, V37, P1560, DOI 10.1103/PhysRevLett.37.1560
[4] TOTAL-ENERGY CALCULATIONS FOR SI WITH A 1ST-PRINCIPLES LINEAR-COMBINATION-OF-ATOMIC-ORBITALS METHOD
HARMON, BN
WEBER, W
HAMANN, DR
[J]. PHYSICAL REVIEW B, 1982, 25 (02): : 1109 - 1115
[5] VIBRATIONAL FREQUENCIES VIA FROZEN PHONONS
HARMON, BN
WEBER, W
HAMANN, DR
[J]. JOURNAL DE PHYSIQUE, 1981, 42 (NC6): : 628 - 630
[6] EXPLICIT LOCAL EXCHANGE-CORRELATION POTENTIALS
HEDIN, L
LUNDQVIS.BI
[J]. JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1971, 4 (14): : 2064 - &
[7] FORMATION OF OMEGA PHASE IN TITANIUM AND ZIRCONIUM ALLOYS - A REVIEW
HICKMAN, BS
[J]. JOURNAL OF MATERIALS SCIENCE, 1969, 4 (06) : 554 - &
[8] MOMENTUM-SPACE FORMALISM FOR THE TOTAL ENERGY OF SOLIDS
IHM, J
ZUNGER, A
COHEN, ML
[J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (21): : 4409 - 4422
[9] QUANTUM-MECHANICAL FORCE CALCULATIONS IN SOLIDS - THE PHONON-SPECTRUM OF SI
IHM, J
YIN, MT
COHEN, ML
[J]. SOLID STATE COMMUNICATIONS, 1981, 37 (06) : 491 - 494
[10] IHM J, 1981, PHYS REV B, V23, P1376