Ab-initio investigation of electronic and optical properties of InAs_1-xP_x alloys

The electronic energy band structure and linear optical properties InAs_1-xP_x alloys are investigated by an ab initio pseudopotential method using density functional theory in the local density approximation (LDA) and a scissors approximation. The calculated band gap energy and density of state (DOS). Electronic band structure shows that InA_s1-xPx alloys are direct band gap and the optical band gap increase from 0.24 to 1.20 eV with increasing P concentrations. The linear energy dependent dielectric functions and some optical properties such as absorption, energy loss function refractive index and reflectivity calculated. Our results agree well with the available data in the literature.