AB-INITIO MOLECULAR-DYNAMICS STUDIES OF A GA-13 CLUSTER

We report the results on the structural and electronic properties of a Ga-13 cluster carried out by the ab-initio molecular dynamics method. We found an icosahedron with some Jahn-Teller distortion to be the lowest energy structure for the Ga-13 cluster. The charge density in the cluster is much lower than that in the bulk alpha-Ga, which implies that the bonding is still metallic.Physics, Condensed MatterSCI(E)7ARTICLE9735-7399