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 (1988), "Empirical interatomic potential for silicon with improved elastic properties", Physical Review B, 38(14), 9902-9905. DOI: 10.1103/physrevb.38.9902.
Abstract: An alternative parametrization is given for a previous empirical interatomic potential for silicon. The new potential is designed to more accurately reproduce the elastic properties of silicon, which were poorly described in the earlier potential. The properties of liquid Si are also improved, but energies of surfaces are less accurate. Detailed tests of the new potential are described.
Notes: This is Tersoff's Si(C) potential, which was an alternative parameterization for improved elastic constants.
See Computed Properties Notes: This file was created and verified by Lucas Hale. It has identical parameter values as the Si(C) model in the SiCGe.tersoff file in the August 22, 2018 LAMMPS distribution. 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 1988--Tersoff-J--Si-c--LAMMPS--ipr1. Link(s):
This page displays computed properties for the Tersoff_LAMMPS_Tersoff_1988T3_Si__MO_186459956893_004 implementation of the 1988--Tersoff-J--Si-c potential. Computed values for other implementations can be seen by clicking on the links below: