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

被引：0
|
作者：
Fenga, 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
来源：
EUROPEAN PHYSICAL JOURNAL D | 2008年 / 50卷 / 03期
关键词：
D O I：
10.1140/epjd/e2008-00231-y
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
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.
引用
收藏
页码：285 / 288
页数：4
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