dorsal/arxiv
View SchemaPolarizabilities of germanium clusters
| Authors | Jinlan Wang, Mingli Yang, Guanghou Wang, Jijun Zhao |
|---|---|
| Categories | |
| ArXiv ID | physics/0112072 |
| URL | https://arxiv.org/abs/physics/0112072 |
Abstract
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.
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"abstract": "Polarizabilities of Ge$_n$ clusters with 2 to 25 atoms are calculated using\ncoupled-perturbation Hartree-Fock (CPHF) and finite field (FF) method within\ndensity functional theory. The polarizabilities of the Ge$_n$ clusters increase\nrapidly in the size range of 2 to 5 atoms and then fluctuate around the bulk\nvalue. The polarizabilities are sensitively dependent on the cluster geometries\nand electronic structures. The large HOMO-LUMO gap may lead to the small\npolarizability. As compared with the compact structure and diamond structure,\nthe prolate cluster structure corresponds to a larger polarizability.",
"arxiv_id": "physics/0112072",
"authors": [
"Jinlan Wang",
"Mingli Yang",
"Guanghou Wang",
"Jijun Zhao"
],
"categories": [
"physics.atm-clus"
],
"title": "Polarizabilities of germanium clusters",
"url": "https://arxiv.org/abs/physics/0112072"
},
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