Structural properties of copper nanoparticles: Modified diffusion Monte Carlo simulations

Dugan N., Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, vol.17, no.8, pp.1171-1177, 2006 (SCI-Expanded) identifier identifier


Brief information about nanoparticles and size dependency of their properties is given. Structural properties of copper nanoparticles, Cu-n (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.