Monte Carlo computer simulation of copper clusters

Date

1999-10-01

Author

Erkoç, Şakir
Shaltaf, R

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We have investigated the structural stability and energetics for small copper clusters, Cu-n (n=3,...,55) by using a Monte Carlo technique at room temperature (T=300 K). In the simulation we have adopted two approaches; one of them was optimizing the cluster from a random configuration as a starting point, and the other was optimizing the cluster by adding one atom randomly to an optimized geometry. The empirical potential-energy function proposed by Erkoc has been used, which contains two-body atomic interactions. It has been found that the fivefold symmetry appears in all the clusters with the number of atoms n greater than or equal to 7, and the icosahedral structure dominates in the clusters with the number of atoms n greater than or equal to 13. [S1050-2947(99)01810-7].

Subject Keywords

Electronic-properties, Cu clusters, Physics

URI

https://hdl.handle.net/11511/57775

Journal

PHYSICAL REVIEW A

DOI

https://doi.org/10.1103/physreva.60.3053

Collections

Department of Physics, Article

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Citation Formats

Ş. Erkoç and R. Shaltaf, “Monte Carlo computer simulation of copper clusters,” PHYSICAL REVIEW A, pp. 3053–3057, 1999, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57775.