DENSITY-FUNCTIONAL PSEUDOPOTENTIAL APPROACH TO CRYSTAL PHASE-STABILITY AND ELECTRONIC-STRUCTURE

被引:62
|
作者
ZUNGER, A [1 ]
COHEN, ML [1 ]
机构
[1] UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
关键词
D O I
10.1103/PhysRevLett.41.53
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
引用
收藏
页码:53 / 56
页数:4
相关论文
共 50 条
  • [1] DENSITY FUNCTIONAL PSEUDOPOTENTIAL APPROACH TO CRYSTAL PHASE-STABILITY OF BINARY COMPOUNDS
    ZUNGER, A
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1979, 24 (03): : 267 - 267
  • [2] DENSITY-FUNCTIONAL THEORY OF ELECTRONIC-STRUCTURE
    PARR, RG
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 207 : 125 - PHYS
  • [3] DENSITY-FUNCTIONAL THEORY OF THE ELECTRONIC-STRUCTURE OF MOLECULES
    PARR, RG
    YANG, WT
    ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1995, 46 : 701 - 728
  • [4] ELECTRONIC-STRUCTURE AND PHASE-STABILITY OF TITANIUM-ALLOYS
    MORINAGA, M
    YUKAWA, N
    ADACHI, H
    TETSU TO HAGANE-JOURNAL OF THE IRON AND STEEL INSTITUTE OF JAPAN, 1986, 72 (06): : 555 - 562
  • [5] ELECTRONIC-STRUCTURE, ALLOY PHASE-STABILITY AND PHASE-DIAGRAMS
    GONIS, A
    SLUITER, M
    TURCHI, PEA
    STOCKS, GM
    NICHOLSON, DM
    JOURNAL OF THE LESS-COMMON METALS, 1991, 168 (01): : 127 - 144
  • [6] ELECTRONIC-STRUCTURE AND PHASE-STABILITY OF ZRO2
    MORINAGA, M
    ADACHI, H
    TSUKADA, M
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1983, 44 (04) : 301 - 306
  • [7] CRYSTAL-STRUCTURE, PHASE-STABILITY AND ELECTRONIC-STRUCTURE OF HIGH-TEMPERATURE ALUMINUM INTERMETALLICS
    FREEMAN, AJ
    XU, JH
    OGUCHI, T
    WATSONYANG, TJ
    HONG, T
    JOURNAL OF METALS, 1987, 39 (07): : A39 - A39
  • [8] ELECTRONIC-STRUCTURE AND STRUCTURAL PHASE-STABILITY IN BAS, BASE, AND BATE
    KALPANA, G
    PALANIVEL, B
    RAJAGOPALAN, M
    PHYSICAL REVIEW B, 1994, 50 (17): : 12318 - 12325
  • [9] PHASE-STABILITY AND ELECTRONIC-STRUCTURE OF TRANSITION-METAL ALUMINIDES
    CARLSSON, AE
    INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 1993, 7 (1-3): : 293 - 298
  • [10] A DENSITY-FUNCTIONAL APPROACH TO THE ELECTRONIC-STRUCTURE OF DISSOLVED IMPURITIES IN SIMPLE LIQUID-METALS
    FAIRLIE, RH
    GREENWOOD, DA
    JOURNAL OF PHYSICS F-METAL PHYSICS, 1983, 13 (08): : 1645 - 1655