Electronic band structure and complex dielectric function of ZB-ALP: A first principles study

Abstract

From first principles, the electronic and optical properties of zb-AlP are calculated. Based on calculated band structure, within the RPA approximation, the complex dielectric function and linear optical properties are calculated. With a band gap of 1.54 eV, zb-AlP shows typical wide band gap semiconductor like optical properties. The plasmon frequency ωp is found in the ultraviolet region.