4.6 Article

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

Journal

PHYSICAL REVIEW B
Volume 68, Issue 3, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.68.035428

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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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