Probing of Optoelectronic and Transport Properties of Zinc Based ZnY 2 X 4 (X = S, Se) Spinels for Renewable Energy

The spinels chalcogenide are emerging materials for solar cells and other renewable energy applications. we have elaborated the electronic and optical properties of ZnY 2 (S/Se) 4 by modified Becke and Johnson potential. The computed band gaps 1.66 eV and 1.10 eV correspond to visible region which increase their significance for solar cells. The optical properties are elaborated by dielectric constants, refractive index, and absorption coefficient. Furthermore, the thermoelectric properties are depicted by BoltzTraP code in terms of thermal conductivity to electrical conductivity ratio, Seebeck coefficient and figure of merit. Finally, two important ratios (i.e. Pugh’s (B/G > 1.75) and Poisson ( υ > 0.26) described the brittle nature of ZnY 2 S 4 and ductile nature of ZnY 2 Se 4 spinels. The large value of Debye and melting temperature is reported for ZnY 2 S 4 than ZnY 2 Se 4 .