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

By Società Italiana Di Fisica, G. Chen, Z. F. Liu and X. G. Gong

Abstract

Abstract. We have studied the atomic structure and the electronic properties of Ban clusters by the ab initio molecular dynamics method. We find that a structural transition to the bulk-like structure begins at Ba9 cluster, and the structures of the clusters are transferred to be icosahedral-like around n = 13. The relatively high stability for Ba4, Ba10 and Ba13 clusters are observed. PACS. 36.40.-c Atomic and molecular clusters – 36.40.Mr Spectroscopy and geometrical structure of clusters 1

Publisher: 2013-09-24
Year: 2000
OAI identifier: oai:CiteSeerX.psu:10.1.1.353.3070
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