Abstract:
The present paper deals with the electronic and optical properties of ZnAl sub(2)Se sub(4) chalcopyrite compound via full potential linearized augmented plane wave method as embodied in Wien2k code of Vienna group. All the calculations are done using the most accurate modified Becke and Johnson (mBJ) potential. We report energy bands, total and partial density of states, absorption spectra, real and imaginary components of dielectric function, reflectivity and refractivity spectra of ZnAl sub(2)Se sub(4) compound. Energy gap of ZnAl sub(2)Se sub(4) is found to be 3.30 eV which is in accordance with the reported experimental data. High intensity of absorption spectra in visible range (3–5 eV) for ZnAl sub(2)Se sub(4) shows its utility for optoelectronic applications such as solar cell.
