Mechanism of Reconstruction of Si(100) Surfaces
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.
KeywordsScanning Tunneling Microscopy Image Surface Band Antibonding State Occupied Surface Symmetric Dime
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- 15.M.Tsukada, K.Kobayashi, and S.Ohnishi: J. Vac. Sci. Technol. A8, 160 (1990).Google Scholar