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[Display omitted] • Bi 2 NiCrO 6 is synthesized by the sol–gel method. • Bi 2 NiCrO 6 shows a cubic structure with an Fm3m space group. • Bi 2 NiCrO 6 is a metallic and ferromagnetic material (μ=1.17μB). • Bi 2 NiCrO 6 is a good candidate for spintronic application. In this work, the experimental and theoretical studies of Bi 2 NiCrO 6 double perovskite material have been performed. The synthesis of Bi 2 NiCrO 6 is made by sol–gel method. The X-ray diffraction (XRD) characterisation of the material reveals that the double perovskite adopts a cubic structure (a = 7.75 Å) with Fm3m space group. Based on the Density Functional Theory (DFT) with spin polarized calculations, the electronic and magnetic properties have been investigated. From the total electronic density of states and the electronic band structure analysis, it is found that Bi 2 NiCrO 6 exhibits a metallic behavior. It is also found that the studied compound is ferromagnetic material with a total magnetic moment 1.17 μ B . The results show that Bi 2 NiCrO 6 material is a good candidate for using in devices that requires multifunctional operations including spintronic. [ABSTRACT FROM AUTHOR]

[Display omitted] • DFT has been used to study the optic and electronic properties of Cs 2 AgBiX 6 (X = I ; Br ; Cl and F). • The studied compounds exhibit a semiconductor behavior. • The fluorine based perovskite is the least absorbent. • Bromine and Chlorine based perovskites are very interesting for the photovoltaic and optoelectronic. Lead free halide double perovskites are widely studied for their semiconducting behavior which allows them to be used as absorbing materials in solar cells and optoelectronic applications. In this paper, in order to look for perovskite materials with appropriate absorption and band gap, our aim is to study the electronic and optical properties of Cs 2 AgBiX 6 (X = I , Br , Cl and F) by using the density functional theory (DFT) with generalized gradient approximation (GGA). The found results show that the investigated halide compounds present a semiconductor features which absorb in a long wavelength range. Furthermore, iodine based halide perovskite exhibits a negative values of the dielectric function real part which correspond to a high photon reflection, besides the fluorine one is the least absorbent material. From the obtained results, our work confirm that, bromine and chlorine based double perovskites are very interesting for the photovoltaic and optoelectronic applications. [ABSTRACT FROM AUTHOR]