Experimental and theoretical studies of synthesized [formula omitted] double perovskite material.

[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]