%0 Journal Article
%T Structural and Electronic Properties Calculations of AlAs1-xPx Alloy
%J American Journal of Condensed Matter Physics
%@ 2163-1123
%D 2012
%I 
%R 10.5923/j.ajcmp.20120205.04
%X Based on the self-consistent ab initio the full-potential linear muffin-tin orbital (FP-LMTO) method, the structural, electronic, optical, and thermodynamic properties of AlAs1-xPx ternary semiconductor alloys have been investigated. The exchange¨Ccorrelation potential was calculated using both the local density approximation (LDA) and generalized gradient approximation (GGA). The ground-state properties are determined for the cubic bulk materials AlAs, AlP, and their mixed crystals at various concentrations (x = 0.25, 0.5, and 0.75). Deviation of the lattice parameter from Vegard¡¯s law and the bulk modulus from linear concentration dependence has been examined. The microscopic origins of the band-gap bowing parameter have been discussed. Moreover, the refractive index for AlAs1-xPx is studied using Reedy and Nazeer model. Besides, the thermodynamic stability of the alloys of interest is investigated by means of the miscibility critical temperature.
%K FP-LMTO
%K Electronic Properties
%K Optical Properties
%K AlAs1-xPx Alloy
%U http://article.sapub.org/10.5923.j.ajcmp.20120205.04.html