Chin. Phys. B, 2008, Vol. 17(9): 3329-3335    DOI: 10.1088/1674-1056/17/9/031
 ATOMIC AND MOLECULAR PHYSICS Prev   Next

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

Pan Xiao-Dong, Gai Zhi-Gang, Gong-Ping
School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000, China
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.
Keywords:  energy      copper cluster      structure
Received:  16 October 2007      Revised:  26 February 2008      Published:  08 September 2008
 PACS: 61.46.Bc (Structure of clusters (e.g., metcars; not fragments of crystals; free or loosely aggregated or loosely attached to a substrate))
Fund: Project supported by the National Natural Science Foundation of China (Grant No 10375028).