SPIN-POLARIZED BAND-STRUCTURE DETERMINATION OF THE SI-2 MOLECULAR GROUND-STATE BY THE METHOD OF FULL-POTENTIAL LINEARIZED AUGMENTED PLANE-WAVES

被引:12
作者
WEINERT, M
WIMMER, E
FREEMAN, AJ
KRAKAUER, H
机构
[1] NORTHWESTERN UNIV,CTR MAT RES,EVANSTON,IL 60201
[2] COLL WILLIAM & MARY,DEPT PHYS,WILLIAMSBURG,VA 23185
关键词
D O I
10.1103/PhysRevLett.47.705
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
引用
收藏
页码:705 / 708
页数:4
相关论文
共 17 条
  • [1] SELF-CONSISTENT PSEUDOPOTENTIAL METHOD FOR LOCALIZED CONFIGURATIONS - MOLECULES
    COHEN, ML
    SCHLUTER, M
    CHELIKOWSKY, JR
    LOUIE, SG
    [J]. PHYSICAL REVIEW B, 1975, 12 (12): : 5575 - 5579
  • [2] DELLEY B, UNPUBLISHED
  • [3] Freeman AJ, 1964, MAGNETISM A, V2A, P167
  • [4] SEMICONDUCTOR CHARGE-DENSITIES WITH HARD-CORE AND SOFT-CORE PSEUDOPOTENTIALS
    HAMANN, DR
    [J]. PHYSICAL REVIEW LETTERS, 1979, 42 (10) : 662 - 665
  • [5] HARRIS J, 1978, PHYS REV A, V18, P2159, DOI 10.1103/PhysRevA.18.2159
  • [6] PSEUDOPOTENTIALS IN DENSITY-FUNCTIONAL THEORY
    HARRIS, J
    JONES, RO
    [J]. PHYSICAL REVIEW LETTERS, 1978, 41 (03) : 191 - 194
  • [7] EXPLICIT LOCAL EXCHANGE-CORRELATION POTENTIALS
    HEDIN, L
    LUNDQVIS.BI
    [J]. JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1971, 4 (14): : 2064 - &
  • [8] SOLID-STATE APPROACH TO SCF XALPHA MOLECULAR EQUATIONS
    HO, KM
    COHEN, ML
    SCHLUTER, M
    [J]. CHEMICAL PHYSICS LETTERS, 1977, 46 (03) : 608 - 610
  • [9] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS
    KOHN, W
    SHAM, LJ
    [J]. PHYSICAL REVIEW, 1965, 140 (4A): : 1133 - &
  • [10] COMPARISON OF CHARGE-DENSITIES AND PSEUDO CHARGE-DENSITIES FOR SI2
    MILLER, DJ
    HANEMAN, D
    BAERENDS, EJ
    ROS, P
    [J]. PHYSICAL REVIEW LETTERS, 1978, 41 (03) : 197 - 200