dorsal/arxiv
View SchemaA transferable nonorthogonal tight-binding model of germanium: application to small clusters
| Authors | Jijun Zhao, Jinlan Wang, Guanghou Wang |
|---|---|
| Categories | |
| ArXiv ID | physics/0004066 |
| URL | https://arxiv.org/abs/physics/0004066 |
| DOI | 10.1016/S0375-9601(00)00588-0 |
Abstract
We have developed a transferable nonorthogonal tight-binding total energy model for germanium and use it to study small clusters. The cohesive energy, bulk modulus, elastic constants of bulk germanium can be described by this model to considerably good extent. The calculated bulk phase diagram for germanium agrees well with LDA results. The geometries and binding energies found for small Ge$_n$ clusters with $n=3-10$ are very close to previous {\em ab initio} calculations and experiments. All these results suggest that this model can be further applied to the simulation of germanium cluster of larger size or with longer time scale, for which {\em ab initio} methods is much more computational expensive.
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"date_created": "2026-03-02T18:00:31.551000Z",
"date_modified": "2026-03-02T18:00:31.551000Z",
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"abstract": "We have developed a transferable nonorthogonal tight-binding total energy\nmodel for germanium and use it to study small clusters. The cohesive energy,\nbulk modulus, elastic constants of bulk germanium can be described by this\nmodel to considerably good extent. The calculated bulk phase diagram for\ngermanium agrees well with LDA results. The geometries and binding energies\nfound for small Ge$_n$ clusters with $n=3-10$ are very close to previous {\\em\nab initio} calculations and experiments. All these results suggest that this\nmodel can be further applied to the simulation of germanium cluster of larger\nsize or with longer time scale, for which {\\em ab initio} methods is much more\ncomputational expensive.",
"arxiv_id": "physics/0004066",
"authors": [
"Jijun Zhao",
"Jinlan Wang",
"Guanghou Wang"
],
"categories": [
"physics.atm-clus"
],
"doi": "10.1016/S0375-9601(00)00588-0",
"title": "A transferable nonorthogonal tight-binding model of germanium: application to small clusters",
"url": "https://arxiv.org/abs/physics/0004066"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "d416df88-d925-4ff0-89a9-b314b386d742",
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"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
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