Band gap engineering of (InGaN) for photovoltaic application

Due to their technological application, a precise prediction of the optical properties of III-nitride alloys is significantly attractive. Numerical simulation based on first-principles calculations is applied to study the structural characteristics and band-energy properties of the zincblende Ga1-xInxN. The purpose of this study is to explore theoretically the electronic and optical characteristics of the parent InN and GaN compounds and their ternary alloys by utilizing KKR-CPA approach. We show that density functional theory is a very powerful tool for: 1- studying the local doping effects, 2- defects effect, 3- size and disorder effect on optical and electronic properties of these materials, 4- predicting properties of new materials.