Revealing the optoelectronic properties of Re-based double perovskites using the Tran-Blaha modified Becke-Johnson with density functional theory.

Density functional theoretical (DFT) calculations were carried out to explore the electronic and optical properties of double ordered BaNaReO, BaLiReO, and SrLiReO perovskites by employing the state-of-the-art exchange-correlation potential, i.e., Tran-Blaha modified Becke-Johnson for the electronic system.