× 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.

× Updated! Potentials that share interactions are now listed as related models.

1986--Tersoff-J--Si

Citation: J. Tersoff (1986), "New empirical model for the structural properties of silicon", Physical Review Letters, 56(6), 632-635. DOI: 10.1103/physrevlett.56.632.

Abstract: An empirical interatomic potential for covalent systems is proposed, incorporating bond order in an intuitive way. The potential has the form of a Morse pair potential, but with the bond-strength parameter depending upon local environment. A model for Si accurately describes bonding and geometry for may structures, including highly rebonded surfaces.

Notes: This is Tersoff's Si(A) potential, which used a slightly different functional form than the commonly known "Tersoff" potential form. It failed to predict diamond cubic as the ground state structure.