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2008--Kim-E-H-Shin-Y-H-Lee-B-J--Ge

Citation: E.H. Kim, Y.-H. Shin, and B.-J. Lee (2008), "A modified embedded-atom method interatomic potential for Germanium", Calphad, 32(1), 34-42. DOI: 10.1016/j.calphad.2007.12.003.
Abstract: A semi-empirical interatomic potential for germanium has been developed based on the modified embedded-atom method (MEAM) formalism. The new potential describes various fundamental physical properties of germanium: elastic, structural, point defect, surface, thermal properties (except melting point), etc., in better agreement with experimental data or first principles calculations than any other empirical potential ever developed. When compared to the previously developed MEAM Ge potential [M.I. Baskes, J.S. Nelson, A.F. Wright, Phys. Rev. B 40 (1989) 6085], certain improvements are made in descriptions of surface relaxations, point defects, thermal expansion and amorphous structure. The potential has the same formalism as already developed MEAM potentials for bcc, fcc and hcp elements, and can be easily extended to describe various metal–silicon multi-component systems.

LAMMPS pair_style meam (2008--Kim-E-H--Ge--LAMMPS--ipr1)
See Computed Properties
Notes: These potential files were obtained from http://cmse.postech.ac.kr/home_2nnmeam, accessed Nov 9, 2020.
File(s):
See Computed Properties
Notes: Listing found at https://openkim.org.
Link(s):

Implementation Information

This page displays computed properties for the MEAM_2NN_Fe_to_Ga__MO_145522277939_001 implementation of the 2008--Kim-E-H-Shin-Y-H-Lee-B-J--Ge potential. Computed values for other implementations can be seen by clicking on the links below:

Date Created: October 5, 2010 | Last updated: June 09, 2022