Modelling gold clusters with an empirical many-body potential

被引：118

作者：

Wilson, NT ^{[1
]}

Johnston, RL ^{[1
]}

机构：

[1] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England

来源：

EUROPEAN PHYSICAL JOURNAL D | 2000年 / 12卷 / 01期

关键词：

D O I：

10.1007/s100530070053

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Molecular Dynamics Simulated Annealing has been used to probe the structure of small Au clusters consisting of between 2 and 40 atoms. The interatomic interactions within these clusters are described using an empirical Murrell-Mottram many-body potential energy function. Four distinct structural motifs are present in the structures of the predicted global minima, based on octahedra, decahedra, icosahedra and hexagonal prisms.

引用

页码：161 / 169

页数：9

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