Structural properties of zinc-blende Ga x In 1-x N: ab initio calculations

S. Saib, N. Bouarissa (), P. Rodríguez-Hernández and A. Muñoz

The European Physical Journal B: Condensed Matter and Complex Systems, 2007, vol. 60, issue 4, 435-438

Abstract: We present a theoretical study of the structural properties, namely lattice constant, bulk modulus and its pressure derivative of zinc-blende Ga x In 1-x N. 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. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Keywords: 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 (search for similar items in EconPapers)
Date: 2007
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DOI: 10.1140/epjb/e2008-00015-3

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