Structural and electronic properties of Ren (n ≤ 8) clusters by density-functional theory
Department of Physics, East China University of Science and Technology, Shanghai, 200237, P.R. China
Corresponding author: a firstname.lastname@example.org
Revised: 22 October 2008
Published online: 5 December 2008
The structures, stabilities and electronic properties of small-sized Ren (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 Re4 and Re6 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.
PACS: 36.40.-c – Atomic and molecular clusters
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2008