Theoretical study of the (3x2) reconstruction of β-SiC(001)

被引:21
作者
Pizzagalli, L [1 ]
Catellani, A
Galli, G
Gygi, F
Baratoff, A
机构
[1] Univ Calif Lawrence Livermore Natl Lab, Livermore, CA 94551 USA
[2] Univ Basel, Dept Phys & Astron, CH-4056 Basel, Switzerland
[3] CNR, MASPEC, I-43010 Parma, Italy
关键词
D O I
10.1103/PhysRevB.60.R5129
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
By means of ab initio molecular dynamics and band-stricture calculations, as well as using calculated scanning tunneling microscopy (STM) images, we have singled out one structural model for the (3 x 2) reconstruction of the Si-terminated (001) surface of cubic SiC, among several proposed in the literature. This is an alternate dimer-row model, with an excess Si coverage of 1/3, yielding STM images in good accord with recent measurements. [S0163-1829(99)51232-0].
引用
收藏
页码:R5129 / R5132
页数:4
相关论文
共 33 条
  • [1] Temperature-induced semiconducting c(4 x 2) double left right arrow metallic (2 x 1) reversible phase transition on the beta-SiC(100) surface
    Aristov, VY
    Douillard, L
    Fauchoux, O
    Soukiassian, P
    [J]. PHYSICAL REVIEW LETTERS, 1997, 79 (19) : 3700 - 3703
  • [2] Bermudez VM, 1997, PHYS STATUS SOLIDI B, V202, P447, DOI 10.1002/1521-3951(199707)202:1<447::AID-PSSB447>3.0.CO
  • [3] 2-I
  • [4] First-principles calculations of SiC(001) surface core level shifts
    Catellani, A
    Galli, G
    Gygi, F
    [J]. APPLIED PHYSICS LETTERS, 1998, 72 (15) : 1902 - 1904
  • [5] Influence of stress and defects on the silicon-terminated SiC(001) surface structure
    Catellani, A
    Galli, G
    Gygi, F
    Pellacini, F
    [J]. PHYSICAL REVIEW B, 1998, 57 (19): : 12255 - 12261
  • [6] THE BETA-SIC(100) SURFACE STUDIED BY LOW-ENERGY ELECTRON-DIFFRACTION, AUGER-ELECTRON SPECTROSCOPY, AND ELECTRON-ENERGY LOSS SPECTRA
    DAYAN, M
    [J]. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1986, 4 (01): : 38 - 45
  • [7] Pairs of Si atomic lines self-assembling on the β-SiC(100) surface:: an 8 x 2 reconstruction
    Douillard, L
    Aristov, VY
    Semond, F
    Soukiassian, P
    [J]. SURFACE SCIENCE, 1998, 401 (01) : L395 - L400
  • [8] GENERALIZED NORM-CONSERVING PSEUDOPOTENTIALS
    HAMANN, DR
    [J]. PHYSICAL REVIEW B, 1989, 40 (05): : 2980 - 2987
  • [9] Space fluctuation of empty states on 3C-SiC(001) surface
    Hara, S
    Kitamura, J
    OKushi, H
    Misawa, S
    Yoshida, S
    Tokumaru, Y
    [J]. SURFACE SCIENCE, 1996, 357 (1-3) : 436 - 440
  • [10] ELEMENTAL COMPOSITION OF BETA-SIC(001) SURFACE PHASES STUDIED BY MEDIUM ENERGY ION-SCATTERING
    HARA, S
    SLIJKERMAN, WFJ
    VANDERVEEN, JF
    OHDOMARI, I
    MISAWA, S
    SAKUMA, E
    YOSHIDA, S
    [J]. SURFACE SCIENCE, 1990, 231 (03) : L196 - L200