@article {1372,
	title = {TIGHT-BINDING TOTAL ENERGY MODELS FOR SILICON AND GERMANIUM},
	journal = {Physical Review B},
	volume = {47},
	number = {15},
	year = {1993},
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},
	month = {Apr},
	pages = {9366-9376},
	type = {Article},
	abstract = {<p>By accurately fitting tight-binding parameters to ab initio band structures from 14 different tetrahedral volumes, tight-binding parametric formulas have been developed for silicon and germanium. The distance dependences for these orthogonal, nearest-neighbor parameters range from r-2.5 to r-3.3. Repulsive potentials are added in order to reproduce the total energies for a number of bulk structures. It is found that the repulsive potential needed has the simple form of a pairwise interaction multiplied by a structure-dependent constant. Transferability is shown with good bulk and cluster results.</p>
},
	keywords = {BOND LENGTH, BULK PHASES, CLUSTERS, COVALENT, GROUND-STATE, INTERATOMIC FORCE-FIELDS, MOLECULAR-DYNAMICS, SI, STRUCTURAL-PROPERTIES, SURFACES},
	isbn = {0163-1829},
	url = {<Go to ISI>://WOS:A1993KZ50800025},
	author = {Mercer, J. L. and Chou, M. Y.}
}
