Polarizabilities of germanium clusters

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Polarizabilities of Ge$_n$ clusters with 2 to 25 atoms are calculated using coupled-perturbation Hartree-Fock (CPHF) and finite field (FF) method within density functional theory. The polarizabilities of the Ge$_n$ clusters increase rapidly in the size range of 2 to 5 atoms and then fluctuate around the bulk value. The polarizabilities are sensitively dependent on the cluster geometries and electronic structures. The large HOMO-LUMO gap may lead to the small polarizability. As compared with the compact structure and diamond structure, the prolate cluster structure corresponds to a larger polarizability.
5 pages, 3 figures

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Atomic and Molecular Clusters

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http://salesiana.dossiersoluciones.com/handle/123456789/84508

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/physics/0112072
 http://arxiv.org/abs/physics/0112072

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arXiv