Calculated polarizabilities of intermediate-size Si clusters

被引:72
作者
Jackson, K [1 ]
Pederson, M
Wang, CZ
Ho, KM
机构
[1] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA
[2] USN, Res Lab, Complex Syst Theory Branch, Washington, DC 20375 USA
[3] Iowa State Univ Sci & Technol, Ames Lab, US Dept Energy, Ames, IA 50011 USA
[4] Iowa State Univ Sci & Technol, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA
来源
PHYSICAL REVIEW A | 1999年 / 59卷 / 05期
关键词
D O I
10.1103/PhysRevA.59.3685
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We have used a first-principles, density-functional-based method to calculate the electric polarizabilities and dipole moments for several low-energy geometrics of Si clusters in the size range 10 less than or equal to N less than or equal to 20. The polarizability per atom is found to be a slowly varying, nonmonotonic function of N. Over this size range the polarizability appears to be correlated most strongly to cluster shape and not with either the dipole moment or the highest occupied-lowest unoccupied molecular-orbital gap. The calculations indicate that the polarizability per atom for Si clusters approaches the bulk limit from above as a function of size. [S1050-2947(99)07305-9].
引用
收藏
页码:3685 / 3689
页数:5
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