Structural and electronic properties of Ren (n ≤ 8) clusters by density-functional theory

The structures, stabilities and electronic properties of small-sized Re-n (n <= 8) clusters have been systematically investigated by density-functional theory. The lowest-energy structures of Ren clusters favor 3-dimensional configuration. The results of second-order difference of energies indicate that Re-4 and Re-6 possess relatively higher stability in structure. Importantly, our theoretical results of electron affinity are in agreement with experimental values, which can be responsible for the reliability of the structures.