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Structural optimization of silver clusters from Ag61 to Ag120 by dynamic lattice searching method

by: Huan Zhan, Longjiu Cheng, Wensheng Cai, Xueguang Shao
Chemical Physics Letters, Vol. 422, No. 4-6. (May 2006), pp. 358-362, doi:10.1016/j.cplett.2006.02.084  Key: citeulike:11375211

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Abstract

Structures of silver clusters from Ag61 to Ag120 were optimized with an unbiased global optimization algorithm named dynamic lattice searching (DLS). The interaction among silver atoms is modeled by the Gupta potential. New global minima of Ag79 and Ag80 were found. The results show that there are two magic number clusters Ag75 and Ag101 from Ag61 to Ag120. Most of the clusters in the studied sizes have decahedral motifs, however, there are 9 clusters with non-decahedral pattern between the two neighboring magic numbers. These results might help us understand the growth rules of medium sized silver clusters.


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