ELECTRONIC-STRUCTURE OF SI(100)C(4X2) CALCULATED WITHIN THE GW APPROXIMATION

被引：246
|
作者：
NORTHRUP, JE
机构：
来源：
PHYSICAL REVIEW B | 1993年 / 47卷 / 15期
关键词：
D O I：
10.1103/PhysRevB.47.10032
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The electronic structure of the Si(100)c(4 X 2) surface has been calculated using a quasiparticle formalism in which the self-energy is evaluated in the GW approximation. The calculated surface state dispersions and band gaps are in good agreement with experiments. The results support the existence of correlated dimer buckling at room temperature. The equilibrium c(4 X 2) sur-face obtained from total-energy calculations is 0. 14 eV/dimer lower in energy than the 2 X 1 symmetric dimer surface, exhibits a dimer buckling of 0.69 angstrom, and has a surface energy of 1.39 eV/(l X 1).
引用
收藏
页码：10032 / 10035
页数：4
相关论文
共 50 条
  • [21] Structure of the InAs{100}-(4x2) epilayer surface on InP
    Sung, MM
    Rabalais, JW
    SURFACE SCIENCE, 1996, 356 (1-3) : 161 - 170
  • [22] ELECTRONIC-STRUCTURE OF THE (2X2)C P4G CARBIDIC PHASE ON NI(100)
    MCCONVILLE, CF
    WOODRUFF, DP
    KEVAN, SD
    WEINERT, M
    DAVENPORT, JW
    PHYSICAL REVIEW B, 1986, 34 (04): : 2199 - 2206
  • [23] ELECTRONIC-STRUCTURE OF C60 WITHIN THE TIGHT-BINDING APPROXIMATION
    MANOUSAKIS, E
    PHYSICAL REVIEW B, 1991, 44 (19): : 10991 - 10994
  • [24] ORIENTATION OF CHEMISORBED CO IN THE PT(100)C(4X2) STRUCTURE BY ORTHOGONAL PLANE ARUPS
    BROOKS, R
    RICHARDSON, NV
    KING, DA
    SURFACE SCIENCE, 1982, 117 (1-3) : 434 - 442
  • [25] Dynamics of exciton formation at the Si(100) c(4x2) surface -: art. no. 126801
    Weinelt, M
    Kutschera, M
    Fauster, T
    Rohlfing, M
    PHYSICAL REVIEW LETTERS, 2004, 92 (12) : 126801 - 1
  • [26] CALCULATED ELECTRONIC-STRUCTURE AND HYPERFINE INTERACTIONS ON GAMMA'-FE(4)Z (Z=N,C)(2))
    KONG, Y
    ZHOU, RJ
    LI, FS
    PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1995, 192 (01): : 87 - 94
  • [27] SELF-CONSISTENT ELECTRONIC-STRUCTURE OF C(2X2) S ON NI(100)
    RICHTER, R
    JEPSEN, O
    WILKINS, JW
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1980, 25 (03): : 193 - 193
  • [28] ELECTRONIC-STRUCTURE OF THE C(2X2) AND P(2X2) OXYGEN OVERLAYERS ON NI(100)
    DESJONQUERES, MC
    CYROTLACKMANN, F
    SURFACE SCIENCE, 1979, 80 (01) : 208 - 214
  • [29] Silver nanostructures on a c(4x2)-NiOx/Pd(100) monolayer
    Agnoli, S.
    Sambi, M.
    Rizzi, G. A.
    Parteder, G.
    Surnev, S.
    Netzer, F. P.
    Granozzi, G.
    SURFACE SCIENCE, 2008, 602 (02) : 499 - 505
  • [30] COMPOSITION AND STRUCTURE OF THE INP(100)-(1X1) AND INP(100)-(4X2) SURFACES
    SUNG, MM
    KIM, C
    BU, H
    KARPUZOV, DS
    RABALAIS, JW
    SURFACE SCIENCE, 1995, 322 (1-3) : 116 - 132
12345