Mechanism of Reconstruction of Si(100) Surfaces

  • M. Tsukada
  • N. Shima
  • Z. Zhu
  • K. Kobayashi
  • H. Kageshima
  • N. Isshiki
Conference paper
Part of the Springer Series in Materials Science book series (SSMATERIALS, volume 17)


Electronic structures of Si(100) buckled 2×1, p(2×2) and c(4×2) surfaces are revealed by first-principles LDA calculation. The c(4×2) surface is found to be the most stable structure. The mechanism of the stabilization for this surface is different from the electrostatic dipole-dipole interaction of the asymmetric dimers. The dispersion of the surface band compares fairly well with the ARUPS observation. The theoretical simulations of STM image for Si(100) surface is described.


Scanning Tunneling Microscopy Image Surface Band Antibonding State Occupied Surface Symmetric Dime 
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Copyright information

© Springer-Verlag Berlin, Heidelberg 1992

Authors and Affiliations

  • M. Tsukada
    • 1
  • N. Shima
    • 1
  • Z. Zhu
    • 1
  • K. Kobayashi
    • 1
  • H. Kageshima
    • 1
  • N. Isshiki
    • 2
  1. 1.Department of Physics, Faculty of ScienceUniversity of TokyoBunkyo-ku, Tokyo 113Japan
  2. 2.Institute for Knowledge and Intelligence ScienceKao CorporationSumida-ku, Tokyo 131Japan

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