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Warning! Note that elemental potentials taken from alloy descriptions may not work well for the pure species. This is particularly true if the elements were fit for compounds instead of being optimized separately. As with all interatomic potentials, please check to make sure that the performance is adequate for your problem.
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Updated! Potentials that share interactions are now listed as related models.
1996--Stephenson-P-C-L-Radny-M-W-Smith-P-V--Si
Citation: P.C.L. Stephenson, M.W. Radny, and P.V. Smith (1996), "A modified Stillinger-Weber potential for modelling silicon surfaces",
Surface Science,
366(1), 177-184. DOI:
10.1016/0039-6028(96)00801-1.
Abstract: The widely used Stillinger-Weber potential for silicon interactions has been modified to provide an accurate description of the Si(111)-(7 × 7) surface including the highly reactive adatom and rest-atom sites. This modified potential also provides a good representation of bulk silicon, and the Si(001)-(1 × 1), Si(001)-(2 × 1), Si(111)-(1 × 1) and Si(111)-(2 × 1) surfaces. Above the melting temperature of 1683 K, however, the original Stillinger-Weber potential is probably superior.
Date Created: October 5, 2010 | Last updated: June 09, 2022