Identifying structural patterns in disordered metal clusters

被引:47
作者
Doye, JPK [1 ]
机构
[1] Univ Cambridge, Chem Lab, Cambridge CB2 1EW, England
来源
PHYSICAL REVIEW B | 2003年 / 68卷 / 19期
关键词
D O I
10.1103/PhysRevB.68.195418
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Zinc and cadmium clusters interacting with a Gupta potential have previously been identified as prototypical metallic systems that exhibit disordered cluster structures. Here, putative global minima of the potential energy have been located for these clusters for all sizes up to N less than or equal to 125. Although none of the usual structural forms are lowest in energy and many of the clusters have no overall order, strong structural preferences have been identified. Many of the clusters are based on distorted oblate Marks decahedra, where the distortion involves the bringing together of atoms on either side of a reentrant groove of the Marks decahedron.
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页数:11
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