文献类型：期刊文献

英文题名：Structural and electronic properties of Re_n (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]E China Univ Sci & Technol, Dept Phys, Shanghai 200237, Peoples R 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：;WOS:【SCI-EXPANDED(收录号:WOS:000262653400008)】；

基金：This work is financially supported by the Foundation for the research starting of East China University of Science and Technology ( Grant No. YK0142109).

语种：英文

摘要：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.