https://doi.org/10.1140/epjb/e2008-00015-3
Structural properties of zinc-blende GaxIn1-xN: ab initio calculations
1
Departamento de Fisica Fundamental II, Universidad de La Laguna, La Laguna E-38205, Tenerife, Spain
2
Department of Physics, Faculty of Science, King Khalid University, Abha, P.O. Box, 9004, Saudi Arabia
Corresponding author: a n_bouarissa@yahoo.fr
Received:
8
August
2007
Revised:
6
November
2007
Published online:
16
January
2008
We present a theoretical study of the structural properties, namely lattice constant, bulk modulus and its pressure derivative of zinc-blende GaxIn1-xN. The calculations are performed using first-principles calculations in the framework of the density-functional-theory within the local density approximation under the virtual crystal approximation. The computed values are in good agreement with the available experimental data. The composition dependence of the studied quantities is examined. Besides, the deviation of the alloy lattice constant from Vegard's law is evaluated.
PACS: 61.66.Dk – Alloys / 71.15.Mb – Density functional theory, local density approximation, gradient and other corrections / 71.20.-b – Electron density of states and band structure of crystalline solids
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2008
