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Structure, optical and electronic properties of predicted stables PerovskitesABX3 are calculated using DFT approach. The modified Becke-Johnson potential isalso used to investigate electrical and optical properties. The density ofstates and electronic band structure calculations reveal that the predictedstable halides Perovskites ABX3 have a direct as well as indirect band gap,with dielectric function, optical reflectivity, absorption coefficient, opticalconductivity, extinction coefficient, refractive index are calculated indifferent ranges of energy. The maximum value of static dielectric function isobserved for KNiI3 and RbIrBr3 are 3.5 and 3 respectively. The highestabsorption peak among the all is observed at 26eV for SrLiF3, while refractiveindex of that SrLiF3 gives peak at 24eV then refractive index decreases belowthe unity as energy increases up to 27.5eV. The maximum peaks of opticalconductivity of predicted stables halides Perovskites are observed in visibleto ultraviolet range (1.7eV to 30eV). The maximum peaks of optical conductivityare observed for SrLiF3 at 24eV. For the first time, all of the propertiesevaluated for predicted stable halides ABX3Perovskites are reported, because notheoretical work is reported yet on most of the physical properties.

To study the structural, electronic and optical properties of predicted stable halide perovskites ABX3