| Energy and structure of copper clusters （n=70-150） studied by the Monte Carlo computer simulation |
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| 引用本文： | 潘小东,盖志刚,李公平.Energy and structure of copper clusters （n=70-150） studied by the Monte Carlo computer simulation[J].中国物理 B,2008,17(9):3329-3335. |
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| 作者姓名： | 潘小东 盖志刚 李公平 |
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| 作者单位： | School of Nuclear Science and Technology, Lanzhou
University,
Lanzhou 730000, China;School of Nuclear Science and Technology, Lanzhou
University,
Lanzhou 730000, China;School of Nuclear Science and Technology, Lanzhou
University,
Lanzhou 730000, China |
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| 基金项目： | Project supported
by the National Natural Science Foundation of
China (Grant No 10375028). |
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| 摘 要： | The structure and binding energy of copper clusters of the size range 70 to 150 were studied by using the embeddedatom method. The stability of the structure of the clusters was studied by calculating the average binding energy per atom, first difference energy and second difference energy of copper cluster. Most of the copper clusters of the size n=70-150 adopt an icosahedral structure. The results show that the trends are in agreement with theoretic prediction for copper clusters. The most stable structures for copper clusters are found at n=77, 90, 95, 131, 139.
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| 关 键 词： | 能量 结构 铜聚类 稳定性 跃迁 固体状态 |
| 收稿时间： | 2007-10-16 |
Energy and structure of copper clusters (n=70--150) studied by the Monte Carlo computer
simulation |
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| Pan Xiao-Dong,Gai Zhi-Gang and Gong-Ping.Energy and structure of copper clusters (n=70--150) studied by the Monte Carlo computer
simulation[J].Chinese Physics B,2008,17(9):3329-3335. |
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| Authors: | Pan Xiao-Dong Gai Zhi-Gang and Gong-Ping |
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| Institution: | School of Nuclear Science and Technology, Lanzhou
University,
Lanzhou 730000, China |
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| Abstract: | The structure and binding energy of copper clusters of the size
range 70 to 150 were studied by using the embedded-atom method. The
stability of the structure of the clusters was studied by
calculating the average binding energy per atom, first difference
energy and second difference energy of copper cluster. Most of the
copper clusters of the size $n$=70--150 adopt an icosahedral
structure. The results show that the trends are in agreement with
theoretic prediction for copper clusters. The most stable structures
for copper clusters are found at $n$=77, 90, 95, 131, 139. |
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| Keywords: | copper cluster structure energy |
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