Structures and its evolution of Ban (n=2∼14) clusters

被引：11

作者：

Chen, G ^{[1
]}

Liu, ZF

Gong, XG

机构：

[1] Acad Sinica, Inst Solid State Phys, Hefei 230031, Peoples R China

[2] Chinese Univ Hong Kong, Dept Chem, Shatin, Hong Kong, Peoples R China

[3] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China

来源：

EUROPEAN PHYSICAL JOURNAL D | 2001年 / 16卷 / 1-3期

关键词：

D O I：

10.1007/s100530170054

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We have studied the atomic structure and the electronic properties of Ba-n clusters by the ab initio molecular dynamics method. We find that a structural transition to the bulk-like structure begins at Ba-o cluster, and the structures of the clusters are transferred to be icosahedral-like around n = 13. The relatively high stability for Ba-4, Ba-10 and Ba-13 clusters are observed.

引用

页码：33 / 36

页数：4

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