A theoretical exploration of the structural feature, mechanical, and optoelectronic properties of Au-based halide perovskites A 2 Au I Au III X 6 (A = Rb, Cs; X = Cl, Br, I)

(A = Rb, Cs), whose efficiency can reach over 29% with a film thickness of 0.5 μm. Our study suggests that inorganic Au-based halide perovskites are potential alternatives for optoelectronic devices in solar cells.