Electronic properties and absorption spectra of ZnSnP2 using mBJ potential

Abstract

We present the energy bands and density of states of ZnSnP2 using full potential linearized augmented plane wave method with modified Becke Johnson potential. It is found that this compound has a direct band gap of about 2.01 eV at Γ point, which originates from the energy difference between P-3p and Sn-5s states. In addition, we have also calculated absorption spectra in the solar energy range and compared it with that of bulk Si to explore the applicability of ZnSnP2 in photovoltaic and optoelectronic devices.