Eur. Phys. J. D 50, 285-288 (2008)
https://doi.org/10.1140/epjd/e2008-00231-y

Structural and electronic properties of Re_n (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 xjfeng@ecust.edu.cn

Received: 25 August 2008
Revised: 22 October 2008
Published online: 5 December 2008

Abstract

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 Re_n 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.