Self-Diffusion Mechanisms of Adatom on Al (001), (011) and (111) Surfaces
SUN Yu-Jie1, LI Jia-Ming1,2
1Center for Atomic and Molecular Nanosciences, Department of Physics, Tsinghua University, Beijing 100084
2Institute of Physics, Chinese Academy of Sciences, Beijing 100080
Self-Diffusion Mechanisms of Adatom on Al (001), (011) and (111) Surfaces
SUN Yu-Jie1;LI Jia-Ming1,2
1Center for Atomic and Molecular Nanosciences, Department of Physics, Tsinghua University, Beijing 100084
2Institute of Physics, Chinese Academy of Sciences, Beijing 100080
Abstract： Using the first-principle molecular dynamical calculations, we have studied the adatom self-diffusion mechanisms on fcc Al (001), (011) and (111) surfaces. On each surface, there are several mechanisms, among which there is one favour mechanism with the minimum barrier energy. The atomic exchange mechanism along the [100] direction on the (001) surface, the long bridge hopping mechanism along the [ī10] direction on the (011) surface, and the bridge hopping mechanism along the [112] direction on the (111) surface are the favour mechanisms. The activation energy profiles for various self-diffusion mechanisms are studied in details.
(Impurity and defect levels; energy states of adsorbed species)
引用本文:
SUN Yu-Jie;LI Jia-Ming;. Self-Diffusion Mechanisms of Adatom on Al (001), (011) and (111) Surfaces[J]. 中国物理快报, 2003, 20(2): 269-272.
SUN Yu-Jie, LI Jia-Ming,. Self-Diffusion Mechanisms of Adatom on Al (001), (011) and (111) Surfaces. Chin. Phys. Lett., 2003, 20(2): 269-272.
2003, Vol. 20 
