Structural, Electronic, and Optical Properties of In_xGa_1-xAs Alloys by Full Potential Linear Augmented Plane Wave Method

Abstract

Ab-initio calculations have been performed to determine the structural, electronic, and optical properties of InxGa1-xAs alloys for x=0.0, 0.25, 0.50, 0.75, and 1.0. The calculated lattice constants follow Vegard's law when we allow for relaxation of atomic positions. Our calculated dielectric function and critical points are in good qualitative agreement with experimental data. The critical point energies are fitted with a polynomial equation of indium concentration. The measured dielectric function and fitting parameters are in good agreement with our results. Our results will be useful for the design of optoelectronic devices using these materials.

Band structure and optical properties of hexagonal In-rich InxAl1−xN alloys

“…Analogous to the ordinary parts those CPBS suffer a continuous shift to higher energies with decreasing x. Additionally, a change in their oscillator strength can be noticed as well. For a quantitative comparison of transition energies of the CPBS between calculated and experimental spectra an established method is applied which was already presented in previous papers for BeZnSe [44] and InGaAs [45] alloy systems. The CPs are extracted out of the respective calculated dielectric function by taking a second-order derivative of it.…”