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

作　　者：朱晓焱 黄燕 

机构地区：[1]Department of Physics, Suzhou University, Suzhou 215006, China [2]National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083, China

出　　处：《Chinese Physics B》2005年第10期2083-2089,共7页中国物理B（英文版）

基　　金：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）.

摘　　要：By use of the empirical tight-binding （ETB） method, the adsorption and diffusion behaviours ot single sllmon 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 ~uitable for the attachment of Si adatom than the SA step or defective surface.By use of the empirical tight-binding （ETB） method, the adsorption and diffusion behaviours ot single sllmon 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 ~uitable for the attachment of Si adatom than the SA step or defective surface.

关 键 词：STEP adsorption DIFFUSION empirical tight-binding 

分 类 号：O562[理学—原子与分子物理]