Static dipole polarizabilities of Scn (n≤15) clusters
Li Xi-Bo(李喜波)a), Wang Hong-Yan(王红艳)b), Luo Jiang-Shan(罗江山)a), Guo Yun-Dong(郭云东)c), Wu Wei-Dong(吴卫东)a), and Tang Yong-Jian (唐永建)a)†
a Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900, China; b College of Science, Southwest Jiaotong University, Chengdu 610031, China; c Department of Physics, Neijiang Teacher's College, Neijiang 641112, China
Abstract The static dipole polarizabilities of scandium clusters with up to 15 atoms are determined by using the numerically finite field method in the framework of density functional theory. The electronic effects on the polarizabilities are investigated for the scandium clusters. We examine a large highest occupied molecular orbital --- the lowest occupied molecular orbital (HOMO--LUMO) gap of a scandium cluster usually corresponds to a large dipole moment. The static polarizability per atom decreases slowly and exhibits local minimum with increasing cluster size. The polarizability anisotropy and the ratio of mean static polarizability to the HOMO--LUMO gap can also reflect the cluster stability. The polarizability of the scandium cluster is partially related to the HOMO--LUMO gap and is also dependent on geometrical characteristics. A strong correlation between the polarizability and ionization energy is observed.
Received: 04 September 2008
Revised: 03 November 2008
Accepted manuscript online:
(Spectroscopy and geometrical structure of clusters)
Fund: Project supported by the National
Natural Science Foundation of China (Grant Nos 10804101 and
10774104) and the Foundation of Key Laboratory of National Defense
Science and Technology of Plasma
Physics, China (Grant No 9140C6805020806).
Cite this article:
Li Xi-Bo(李喜波), Wang Hong-Yan(王红艳), Luo Jiang-Shan(罗江山), Guo Yun-Dong(郭云东), Wu Wei-Dong(吴卫东), and Tang Yong-Jian (唐永建) Static dipole polarizabilities of Scn (n≤15) clusters 2009 Chin. Phys. B 18 3414
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