Abstract
In this research work, the properties of double perovskites (DPs) are investigated by using the full potential linear augmented plane-wave (FP-LAPW) technique. To compute structural characteristics, we used the generalized gradient approximation (GGA) functional. On the other hand, the optoelectronic and thermoelectric properties of Cs2AgAuX6 (X = Br, I), were calculated using the modified Becke and Johnson (mBJ) potential functional. According to our work, these materials have band gaps of 1.13 eV for X = I and 1.24 eV for X = Br. These materials' optical properties have been investigated through the use of reflectivity, absorption, refractive index, and dielectric constants. With the highest transition values versus photon energy in the visible spectrum, the optical properties point to the potential application of these double perovskites in solar cells. In addition, our studies of the transport properties using the Boltzmann transport equation suggest that our understudy DPs is optimal for thermoelectric uses.
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