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Citation: E.C. Do, Y.-H. Shin, and B.-J. Lee (2009), "Atomistic modeling of III-V nitrides: modified embedded-atom method interatomic potentials for GaN, InN and Ga1-xInxN", Journal of Physics: Condensed Matter, 21(32), 325801. DOI: 10.1088/0953-8984/21/32/325801.
Abstract: Modified embedded-atom method (MEAM) interatomic potentials for the Ga-N and In-N binary and Ga-In-N ternary systems have been developed based on the previously developed potentials for Ga, In and N. The potentials can describe various physical properties (structural, elastic and defect properties) of both zinc-blende and wurtzite-type GaN and InN as well as those of constituent elements, in good agreement with experimental data or high-level calculations. The potential can also describe the structural behavior of Ga1-xInxN ternary nitrides reasonably well. The applicability of the potentials to atomistic investigations of atomic/nanoscale structural evolution in Ga1-xInxN multi-component nitrides during the deposition of constituent element atoms is discussed.

LAMMPS pair_style meam (2009--Do-E-C--In-N--LAMMPS--ipr1)
See Computed Properties
Notes: These files are based on files obtained from http://cmse.postech.ac.kr/home_2nnmeam.
See Computed Properties
Notes: Listing found at https://openkim.org.
Date Created: October 5, 2010 | Last updated: June 09, 2022