Computational study of structural and elastic properties of random Al(x)Ga(y)In(1 - x - y)N alloys.

  title={Computational study of structural and elastic properties of random Al(x)Ga(y)In(1 - x - y)N alloys.},
  author={Michal Lopuszynski and Jacek A. Majewski},
  journal={Journal of physics. Condensed matter : an Institute of Physics journal},
  volume={22 20},
  • M. Lopuszynski, J. Majewski
  • Published 2 February 2010
  • Chemistry, Physics, Medicine
  • Journal of physics. Condensed matter : an Institute of Physics journal
In this work we present a detailed computational study of the structural and elastic properties of cubic Al(x)Ga(y)In(1 - x - y)N alloys in the framework of the Keating valence force field model, for which we perform an accurate parametrization based on state-of-the-art density functional theory calculations. When analysing structural properties, we focus on the concentration dependence of the lattice constant, as well as on the distribution of the nearest and the next nearest neighbour… 
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