Ab initio absorption spectra of Aln (n=2-13) clusters -: art. no. 035428

被引:71
作者
Deshpande, MD [1 ]
Kanhere, DG
Vasiliev, I
Martin, RM
机构
[1] Univ Poona, Dept Phys, Pune 411007, Maharashtra, India
[2] New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA
[3] Univ Illinois, Dept Phys, Urbana, IL 61801 USA
关键词
D O I
10.1103/PhysRevB.68.035428
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We investigate the optical absorption spectra of Al-n (n = 2 - 13) clusters using the time-dependent spin-polarized local-density approximation. The overall shapes of the calculated spectra strongly depend on cluster geometries. It is observed that a simple jellium model is not valid for these clusters. In the size range of n less than or equal to 5, the spectra show discrete, atomiclike transitions. For n = 6-12, the shape of the absorption spectra can be explained on the basis of an ellipsoidal shell model. A strong collective excitation peak is observed for Al-13 cluster, which is due to its spherical symmetry.
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页数:5
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