Ab-initio investigation of electronic and optical properties of InAs1-xPx alloys
The electronic energy band structure and linear optical properties InAs1-xPx alloys are investigated by an abinitio 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 InAs1-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.
Key Words: Alloys, Electronic structures, Optical properties.