中国物理B ›› 2005, Vol. 14 ›› Issue (10): 2083-2089.doi: 10.1088/1009-1963/14/10/026

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Adsorption and diffusion of Si adatom near single-layer steps on Si surface

朱晓焱1, 黄燕2   

  1. (1)Department of Physics, Suzhou University, Suzhou 215006, China;National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083,China; (2)National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083,China
  • 收稿日期:2004-12-03 修回日期:2005-06-27 出版日期:2005-10-20 发布日期:2005-10-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 10374069) and the National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences (Grant No 200412).

Adsorption and diffusion of Si adatom near single-layer steps on Si surface

Zhu Xiao-Yan (朱晓焱)ab, Huang Yan (黄燕)b   

  1. a Department of Physics, Suzhou University, Suzhou 215006, Chinab National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083, China
  • Received:2004-12-03 Revised:2005-06-27 Online:2005-10-20 Published:2005-10-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No 10374069) and the National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences (Grant No 200412).

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摘要： By use of the empirical tight-binding (ETB) method, the adsorption and diffusion behaviours of single silicon adatom on the reconstructed Si(100) surface with single-layer steps are simulated. The adsorption energies around the SA step, nonrebonded SB step, rebonded Sm B step, and rough SB step with a kink structure are specially mapped out in this paper,from which the favourable binding sites and several possible diffusion paths are achieved. Because of the rebonded and kink structures, the SB step is more suitable for the attachment of Si adatom than the SA step or defective surface.

关键词: step, adsorption, diffusion, empirical tight-binding

Abstract: By use of the empirical tight-binding (ETB) method, the adsorption and diffusion behaviours of single silicon adatom on the reconstructed Si(100) surface with single-layer steps are simulated. The adsorption energies around the SA step, nonrebonded SB step, rebonded SB step, and rough SB step with a kink structure are specially mapped out in this paper,from which the favourable binding sites and several possible diffusion paths are achieved. Because of the rebonded and kink structures, the SB step is more suitable for the attachment of Si adatom than the SA step or defective surface.

Key words: step, adsorption, diffusion, empirical tight-binding

中图分类号:  (Adsorption kinetics ?)

  • 68.43.Mn
68.43.Jk (Diffusion of adsorbates, kinetics of coarsening and aggregation) 68.35.B- (Structure of clean surfaces (and surface reconstruction)) 68.47.Fg (Semiconductor surfaces)