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논문 기본 정보
- 자료유형
- 학술저널
- 저자정보
- 발행연도
- 1995.12
- 수록면
- 367 - 372 (6page)
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초록· 키워드
오류제보하기
We investigate the Au(001) surface reconstruction, numerically, by Molecular Dynamics (MD) simulation. We find that the top-most layer of Au(001) surface is reconstructed to a contracted hexagonal face, and relaxed about 0.05Å upward at room temperature. The contraction ratio with respect to a unreconstructed Au(111) surface is about 3.5%. The hexagonal layer is slightly distorted and buckled. The surface corrugation is found to be about 0.28Å on average. In our earlier work we have predicted the in-plane orientation of the reconstructed layer to be either 0˚ or 0.7˚ depending on the size of the cluster. However, we find only 0.0˚ in this simulation because the size of the cluster correspoding to the 0.7˚ orientation is larger than the current limitation of MD simulation. These findings are in good agreement with experimental results.
목차
Abstract
1. Introduction
2. Method
3. Results
4. Conclusion
Acknowledgements
References
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UCI(KEPA) : I410-ECN-0101-2019-420-001262932