Structures and its evolution of Ba-n (n=2 similar to 14) clusters

Authors
Chen, G Liu, ZF Gong, XG
Citation
G. Chen et al., Structures and its evolution of Ba-n (n=2 similar to 14) clusters, EUR PHY J D, 16(1-3), 2001, pp. 33-36
Citations number
21
Categorie Soggetti
Physics
Journal title
EUROPEAN PHYSICAL JOURNAL D
ISSN journal
14346060 → ACNP
Volume
16
Issue
1-3
Year of publication
2001
Pages
33 - 36
Database
ISI
SICI code
1434-6060(200109)16:1-3<33:SAIEOB>2.0.ZU;2-K
Abstract
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 structu ral transition to the bulk-like structure begins at Ba-o cluster, and the s tructures 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 o bserved.