The structural, electronic and optical properties of InxGa1-xP alloys

The structural, electronic energy band structure and linear optical properties InxGa1-xP alloys are investigated by an ab initio pseudopotential method using density functional theory in the local density approximation (LDA) and a scissors approximation. For these alloys lattice parameters, bulk modulus, band gap energy and density of state (DOS) are calculated. Electronic band structure shows that InxGa1-xP alloys are direct band gap and the optical band gap decrease from 2.10 to 1.41 eV with increase in In concentrations. The linear energy dependent dielectric functions and some optical properties such as energy loss function, absorption and refractive index are calculated. Our results agree well with the available data in the literature. (C) 2010 Elsevier B.V. All rights reserved.