INSTABILITY OF CUBOCTAHEDRAL COPPER CLUSTERS

被引：100

作者：

VALKEALAHTI, S

MANNINEN, M

机构：

[1] Department of Physics, University of Jyväskylä, SF-40351 Jyväskylä

来源：

PHYSICAL REVIEW B | 1992年 / 45卷 / 16期

关键词：

D O I：

10.1103/PhysRevB.45.9459

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Equilibrium structures of copper clusters up to 10 000 atoms are studied using molecular-dynamics and effective-medium theory. Icosahedral closed-shell clusters are most stable up to approximately 2500 atoms and the Wulff polyhedra are favored for larger clusters. Cuboctahedral closed-shell clusters up to approximately 2000 atoms are unstable. They undergo a nondiffusive transition to an icosahedral structure at low temperatures and melt directly above the fcc-cluster-melting temperature. The melting temperature decreases with decreasing cluster size but not as deeply as has been reported for pure metals.

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页码：9459 / 9462

页数：4

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