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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 |
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| Cite this article: |
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SUN Yu-Jie, LI Jia-Ming 2003 Chin. Phys. Lett. 20 269-272 |
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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.
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| Keywords:
68.35.Fx
68.35.Ja
73.20.Hb
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Published: 01 February 2003
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| PACS: |
68.35.Fx
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(Diffusion; interface formation)
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68.35.Ja
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(Surface and interface dynamics and vibrations)
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73.20.Hb
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(Impurity and defect levels; energy states of adsorbed species)
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