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
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