Polarizabilities of germanium clusters
Atomic and Molecular Clusters
2007-05-23 v1
Abstract
Polarizabilities of Ge 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 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.
Cite
@article{arxiv.physics/0112072,
title = {Polarizabilities of germanium clusters},
author = {Jinlan Wang and Mingli Yang and Guanghou Wang and Jijun Zhao},
journal= {arXiv preprint arXiv:physics/0112072},
year = {2007}
}
Comments
5 pages, 3 figures