A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A₂YAuI₆ (A = Rb, Cs) for solar cell and renewable energy applications

Abstract

The physical properties of A 2 YAuI 6 (A = Rb, Cs) perovskite have been investigated in the current work using DFT calculations. Our computed results show that these halides are best for thermoelectric and solar cell applications.