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