Linear and nonlinear optical response of MgxZn1−xO: A density functional study

Total and partial density of states, frequency dependent complex refractive index including extinction coefficient, optical conductivity and transmission of MgxZn1−xO (0≤x≤1) in rocksalt and wurtzite phases are calculated using full potential linearized augmented plane wave (FP-LAPW) method. The real part of refractive index decreases while the extinction coefficient, optical conductivity and transmission for rocksalt phase increases with the increase in Mg concentration. In wurtzite phase, ordinary and extraordinary indices decrease while extinction coefficient, optical conductivity and transmission increase in parallel as well as perpendicular to c-axis with the increase in the Mg concentration.