Structural properties of copper nanoparticles:: Modified diffusion Monte Carlo simulations

被引：3
|
作者：
Dugan, Nazim [1 ]
Erkoc, Sakir [1 ]
机构：
[1] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey
来源：
INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 2006年 / 17卷 / 08期
关键词：
diffusion Monte Carlo; copper clusters; empirical potentials;
D O I：
10.1142/S0129183106009722
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
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.
引用
收藏
页码：1171 / 1177
页数：7
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