Theoretical study of electronic structure and optical properties for ZnO thin film

In this work, Calculated electronic structures and optical absorption for zinc oxide wurtzite are investigated with the pseudo - potentials technique from within the conceptual frame of Density-Functional Theory using numerous exchange – correlational energy functions (XC) to describe the lattice parameters, band structures, density of state , partial density of state and absorption coefficient to Zinc Oxide, As the compound we mentioned earlier belongs to the P63 MC symmetry group. All properties calculated by the functional agreed with the experimental value except in the energy gap there is a difference in two LDA and GGA-PW91 functionals compared to the experimental data.