中国物理B ›› 2008, Vol. 17 ›› Issue (9): 3329-3335.doi: 10.1088/1674-1056/17/9/031

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Energy and structure of copper clusters (n=70--150) studied by the Monte Carlo computer simulation

潘小东, 盖志刚, 李公平   

  1. School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000, China
  • 收稿日期:2007-10-16 修回日期:2008-02-26 出版日期:2008-09-08 发布日期:2008-09-08
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 10375028).

Energy and structure of copper clusters (n=70--150) studied by the Monte Carlo computer simulation

Pan Xiao-Dong(潘小东), Gai Zhi-Gang(盖志刚), and Li Gong-Ping(李公平)†   

  1. School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000, China
  • Received:2007-10-16 Revised:2008-02-26 Online:2008-09-08 Published:2008-09-08
  • Supported by:
    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 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.

关键词: copper cluster, structure, energy

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.

Key words: copper cluster, structure, energy

中图分类号:  (Structure of clusters (e.g., metcars; not fragments of crystals; free or loosely aggregated or loosely attached to a substrate))

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