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Halide double perovskites are the best alternative to Pb-halide perovskites. These materials play an important role in renewable energy generation. Therefore, we explore the physical properties of K 2 AgAsX 6  (X = Cl, Br) double halide perovskites using full potential linearized augmented plane wave method . The structural parameters are calculated by optimization and analytical schemes. The negative values of formation energy confirm the thermodynamic stability, while Goldsmith’s tolerance factor guarantees the structural stability of both the double perovskites. The bandgaps of K 2 AgAsCl 6  and K 2 AgAsBr 6  are calculated as 2.10 and 1.48 eV, respectively by modified Becke and Johnson potential. Optical properties are examined in terms of the dielectric function, refractive index and absorption coefficients. The thermoelectric properties are calculated in terms of the electronic and thermal conductivities, Seebeck coefficients, power factor and figure of merit. Our study suggests the K 2 AgAsX 6  perovskites for energy-related applications.

The study of new double perovskites K 2 AgAsX 6 (X = Cl, Br) for energy-based applications