Electronic and Optical Properties of InN in Wurtzite and Cubic Phases

First principle calculations for the electronic and optical properties of cubic and wurtzite InN have been performed within generalized gradient approximation (GGA) using full potential linear augmented plane wave (FPLAPW) method as implemented in WIEN2k code. Our calculations show total energy for wurtzite structure of InN is smaller by 0.018 which predicts greater stability than cubic InN. The valence band maxima and conduction band minima are strongly dominated by N-2p states and located at AUU-symmetrical point which confirms its direct band gap nature in both phases. The frequency dependent dielectric functions are explained in terms of band structure and density of states show overall good agreement with availables measured data.