| 低能CU6团簇在CU(001)表面和AU(001)表面沉积的分子动力学模拟研究 |
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| 引用本文： | 徐毅,潘正瑛,王月霞.低能CU6团簇在CU(001)表面和AU(001)表面沉积的分子动力学模拟研究[J].物理学报,2001,50(1):88-94. |
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| 作者姓名： | 徐毅 潘正瑛 王月霞 |
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| 作者单位： | (1)复旦大学现代物理研究所,上海市200433; (2)复旦大学现代物理研究所,上海市200433 中国科学院上海冶金研究所,上海市201800; (3)中国科学院上海冶金研究所,上海市201800 |
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| 基金项目： | 国家自然科学基金(批准号：19875011)和中国工程物理研究院院外基金资助的课题.
Project supported by the National Natural Science Foundation of China (Grant No.19875011). |
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| 摘 要： | 关键词：
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| 关 键 词： | 分子动力学 低能团簇 金属表面 沉积 薄膜 |
| 修稿时间： | 2000年6月3日 |
MOLECULAR-DYNAMICS
SIMULATIONS OF LOW-ENERGY Cu6 CLUSTER DEPOSITION ON Cu(001) AND Au(001) SURFACES |
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| Xu yi,Pan Zhen-Ying and Wang Yue-Xia.MOLECULAR-DYNAMICS
SIMULATIONS OF LOW-ENERGY Cu6 CLUSTER DEPOSITION ON Cu(001) AND Au(001) SURFACES[J].Acta Physica Sinica,2001,50(1):88-94. |
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| Authors: | Xu yi Pan Zhen-Ying and Wang Yue-Xia |
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| Abstract: | In this paper, the deposition of Cu6 cluster with a stable octahedral structure on Cu(001) and Au(001) surfaces in tenth of picoseconds is investigated by molecular-dynamics simulations, in which the Finnis-Sinclain potential is used to describe the interactions between copper and gold atoms. The incident energy of the cluster ranges from 0 to 30 eV per atom. By taking “snapshots” and analyzing the energy partition during the deposition process, it is found that the cluster atoms could rearrange themselves from the original octahedral structure into a fcc structure and eventually form an epitaxial layer. The penetration depths of the cluster atoms increase with the impact energy. The substrate suffers damages when the impact energy is increased over a threshold value. Compared with copper surface, the energy threshold for gold surface is a little higher than that for copper surface. The simulations also show that the reconstruction of cluster atoms on surface is completed in a very short time (a few picoseconds), and during which the collision cascade plays an important role in the cluster reconstruction. Our simulation supports the related experimental results that the low energy cluster beam deposition (LECBD) is favourable for the formation of the nanostructured thin films, which can be controlled by varying the incident energy of clusters. |
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