Density-functional study of ring-like GanAsn (3 ⩽ n ⩽ 14) clusters

A family of stable single- and double-ring-like GanAsn (3 ⩽ n ⩽ 14) clusters is given. The structures and properties of them are investigated using the density-functional theory with generalized gradient approximation. The transition of GanAsn structural evolution from two- to three-dimension occurs at about the atom number 7. Single-ring is not stable when the cluster size n is larger than 6. Double-rings are energetically more favorable than single-rings. All double-ring GanAsn clusters with n have high symmetry of D(n/2)d. The transition region of average binding energy and on-site charge is Ga6As6(b) and Ga8As8. The bonding characteristic of these rings is covalent. These clusters are all semiconductor-like.