| Adsorption and diffusion of Si adatom near single-layer steps on Si surface |
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| 作者姓名： | 朱晓焱 黄燕 |
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| 作者单位： | 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;National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083,China |
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| 基金项目： | 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 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.
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| 关 键 词： | 硅原子 吸附理论 扩散路径 ETB 表面特征 |
| 收稿时间： | 2004-12-03 |
| 修稿时间： | 2004-12-032005-06-27 |
Adsorption and diffusion of Si adatom near single-layer steps on Si surface |
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| Zhu Xiao-Yan and Huang Yan.Adsorption and diffusion of Si adatom near single-layer steps on Si surface[J].Chinese Physics B,2005,14(10):2083-2089. |
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| Authors: | Zhu Xiao-Yan and Huang Yan |
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| Institution: | 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; National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083,China |
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| 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 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. |
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| Keywords: | step adsorption diffusion empirical tight-binding |
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