THE ELECTRONIC-STRUCTURE OF OXYGEN IONS IN THE STEP ON THE (001) SURFACE OF MGO

被引:5
|
作者
ABARENKOV, IV [1 ]
FRENKEL, TY [1 ]
机构
[1] KEMEROVO UNIV,DEPT PHYS,KEMEROVO,USSR
关键词
D O I
10.1088/0953-8984/3/20/008
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
In the present paper the confining potential and the wave functions of the oxygen anion in the step on the (001) surface of MgO are calculated from first principles. The confining potential is found strong enough for the O-2 anion in the step to be stable. The method is described and the calculated potential and wave functions are given in the paper.
引用
收藏
页码:3471 / 3478
页数:8
相关论文
共 50 条
  • [41] SURFACE ELECTRONIC-STRUCTURE OF PB(001), PB(110), AND PB(111)
    WURDE, K
    MAZUR, A
    POLLMANN, J
    [J]. PHYSICAL REVIEW B, 1994, 49 (11) : 7679 - 7686
  • [42] ELECTRONIC-STRUCTURE AND THE ATTRACTIVE INTERACTION BETWEEN ATOMS ON THE (001) SURFACE OF W
    JOUBERT, DP
    [J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1987, 20 (12): : 1899 - 1907
  • [43] MO(001) SURFACE - SELF-CONSISTENT CALCULATION OF ELECTRONIC-STRUCTURE
    KERKER, GP
    HO, KM
    COHEN, ML
    [J]. PHYSICAL REVIEW LETTERS, 1978, 40 (24) : 1593 - 1596
  • [44] ELECTRONIC-STRUCTURE OF THE PT(001) SURFACE WITH AND WITHOUT AN ADSORBED GOLD MONOLAYER
    WANG, DS
    FREEMAN, AJ
    KRAKAUER, H
    [J]. PHYSICAL REVIEW B, 1984, 29 (04): : 1665 - 1673
  • [45] SELF-CONSISTENT ELECTRONIC-STRUCTURE OF THE CONTRACTED TUNGSTEN (001) SURFACE
    POSTERNAK, M
    KRAKAUER, H
    FREEMAN, AJ
    [J]. BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1980, 25 (03): : 235 - 235
  • [46] CHARACTERIZATION OF THE SURFACE NET AND ELECTRONIC-STRUCTURE OF AUGA2(001)
    NELSON, JG
    LINCE, JR
    GIGNAC, WJ
    WILLIAMS, RS
    [J]. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1984, 2 (02): : 534 - 537
  • [47] ABINITIO CALCULATION OF THE ELECTRONIC-STRUCTURE AND ENERGETICS OF THE UNRECONSTRUCTED AU(001) SURFACE
    EIBLER, R
    ERSCHBAUMER, H
    TEMNITSCHKA, C
    PODLOUCKY, R
    FREEMAN, AJ
    [J]. SURFACE SCIENCE, 1993, 280 (03) : 398 - 414
  • [48] ELECTRONIC-STRUCTURE OF THE MO(001) SURFACE - LOCAL-DENSITY STUDY
    HONG, SC
    LEE, JI
    [J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 1993, 7 (1-3): : 524 - 527
  • [49] ELECTRONIC-STRUCTURE OF AN ANTIFERROMAGNETIC CHROMIUM LAYER ADSORBED ON THE (001) SILVER SURFACE
    ALLAN, G
    [J]. PHYSICAL REVIEW B, 1991, 44 (24): : 13641 - 13644
  • [50] SELF-CONSISTENT ELECTRONIC-STRUCTURE OF THE CONTRACTED TUNGSTEN(001) SURFACE
    POSTERNAK, M
    KRAKAUER, H
    FREEMAN, AJ
    [J]. PHYSICAL REVIEW B, 1982, 25 (02): : 755 - 761