× Notice! This site is currently being redesigned. Please let us know any feedback on the new design or if you find something incorrect/not working.
× Updated! Computed properties are now sorted by implementation versions.


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.

Date Created: October 5, 2010 | Last updated: April 26, 2019