Ab initio calculation of electronic, elastic and optical prooerties of some semiconductor structures

In this work, the electronic, elastic and optical properties of GaAs, GaP, InAs and InP binary compounds of these compounds with the ternary (InxGa1-xAs, InxGa1-xP, InAs1-yPy and GaAs1-yPy) and (InxGa1-xAs1-yPy) quaternary alloys are investigated as a function of x and y composition by using ab initio calculations within density functional theory. For these alloys, the lattice parameters, band structures, density of state, elastic constants and bulk module are calculated. The linear photon-energy dependent dielectric functions and some optical properties curves are calculated. The results of calculations of the GaAs structure of In and P proportion InxGa1-xAs, GaAs1-yPyternary and (InxGa1-xAs1-yPy) of quaternary x and y = 0,5 values were compared the optical features. These structures as a result of symmetry points ? has a direct band gap energy range is seen. The obtained results are compared with the available experimental and theoretical data.