文献类型：期刊文献

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

作者：Feng, X.J.[1]; Cao, T.T.[1]; Zhao, L.X.[1]; Lei, Y.M.[1]; Luo, Y.[1]

机构：[1] Department of Physics, East China University of Science and Technology, Shanghai 200237, China

年份：2008

卷号：50

期号：3

起止页码：285

外文期刊名：European Physical Journal D

收录：EI(收录号：20214611170230)

语种：英文

外文关键词：Electronic properties - Rhenium compounds - Electron affinity

摘要：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. ? 2008 EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg.