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1988--Tersoff-J--Si-b

Citation: J. Tersoff (1988), "New empirical approach for the structure and energy of covalent systems", Physical Review B, 37(12), 6991-7000. DOI: 10.1103/physrevb.37.6991.

Abstract: Empirical interatomic potentials permit the calculation of structural properties and energetics of complex systems. A new approach for constructing such potentials, by explicitly incorporating the dependence of bond order on local environment, permits an improved description of covalent materials. In particular, a new potential for silicon is presented, along with results of extensive tests which suggest that this potential provides a rather realistic description of silicon. The limitations of the potential are discussed in detail.

Notes: This is Tersoff's Si(B) potential, which is the original parameterization of silicon using what is commonly referred to as the "Tersoff"-potential form.

LAMMPS pair_style tersoff (1988--Tersoff-J--Si-b--LAMMPS--ipr1)

See Computed Properties
Notes: This file was created and verified by Lucas Hale. It has identical parameter values as the Si.tersoff file in the August 22, 2018 LAMMPS distribution.
File(s):

1988_Si(B).tersoff

OpenKIM (MO_245095684871)

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-b--LAMMPS--ipr1.
Link(s):

KIM page Tersoff_LAMMPS_Tersoff_1988T2_Si__MO_245095684871_002
DOI 10.25950/8d772f84