Structure of small gallium clusters

Abstract

The structures of Ga n ( n⩽8) clusters have been studied by an ab initio molecular-dynamics method and a simulated annealing technique. With increasing the cluster size, we find transitions from planar to nonplanar structures at n=5. The building blocks of gallium clusters are the Ga 2 molecule and the zig-zag chain, which exist in the α-Ga and meta-stable β-Ga solid phase respectively.