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.
Citation: J. Tersoff (1989), "Modeling solid-state chemistry: Interatomic potentials for multicomponent systems", Physical Review B, 39(8), 5566-5568. DOI: 10.1103/physrevb.39.5566.
Abstract: A general form is proposed for an empirical interatomic potential for multicomponent systems. This form interpolates between potentials for the respective elements to treat heteronuclear bonds. The approach is applied to C-Si and Si-Ge systems. In particular, the properties of SiC and its defects are well described.
Citation: J. Tersoff (1990), "Erratum: Modeling solid-state chemistry: Interatomic potentials for multicomponent systems", Physical Review B, 41(5), 3248-3248. DOI: 10.1103/physrevb.41.3248.2.
Notes: This is Tersoff's original multicomponent potential for Si-Ge interactions.
See Computed Properties Notes: This file was created and verified by Lucas Hale. The parameter values are comparable to the Si(D)-Ge interactions in SiCGe.tersoff file in the August 22, 2018 LAMMPS distribution, with this file having higher numerical precision for the derived mixing parameters. File(s):
See Computed Properties Notes: Listing found at https://openkim.org. This KIM potential is based on a parameter file with identical parameter values as 1989--Tersoff-J--Si-Ge--LAMMPS--ipr1. Link(s):
This page displays computed properties for the Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_004 implementation of the 1989--Tersoff-J--Si-Ge potential. Computed values for other implementations can be seen by clicking on the links below: