STRUCTURAL PROPERTIES OF COPPER NANOPARTICLES: MODIFIED DIFFUSION MONTE CARLO SIMULATIONS

Nazim Dugan and Şaki̇r Erkoç ()
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Nazim Dugan: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey
Şaki̇r Erkoç: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey

International Journal of Modern Physics C (IJMPC), 2006, vol. 17, issue 08, 1171-1177

Abstract: Brief information about nanoparticles and size dependency of their properties is given. Structural properties of copper nanoparticles,Cun(n = 50, 100, 150) have been investigated by a modified version of diffusion Monte Carlo method, using an empirical pair potential developed and parameterized for copper. Radial distribution of atoms and the coordination numbers are investigated by the optimum geometries obtained. It has been found that stable structures of copper nanoparticles considered have compact spherical shapes.

Keywords: Diffusion Monte Carlo; copper clusters; empirical potentials; 02.70.Uu; 36.40.-c (search for similar items in EconPapers)
Date: 2006
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DOI: 10.1142/S0129183106009722

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