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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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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.