Abstract
Electronic band structure, optical and vibrational properties of zinc-blende GaPxSb1-x and GaAs1-xPx ternary alloys are obtained from pseudo-potential calculations. Comparisons are made with the available experimental values and with data obtained in previous theoretical studies. These comparisons show generally good agreement between the present results and experiment. The direct and indirect band-gap energies, the transverse effective charge, and the longitudinal and transversal optical phonon energies show a non-linear behavior with varying the composition x. The ionicity of the materials of interest is discussed in terms of the antisymmetric gap. (c) 2007 Elsevier B.V. All rights reserved.