Forecasting electronic-band structure and magnetism in complex double perovskite Ba2CdReO6

Highly precise spin-polarized density functional theory has been carried out to inspect the most fundamental properties inclusive of structural, electronic and magnetic properties in Ba2CdReO6 double perovskite. The structural study of material affirms its cubic geometry having space symmetry Fm-3m (225) along with lattice constant nicely appropriates well with other experimental results belonging to the same family. The prediction of band structure together with the density of states (DOS) designates its half-metallic band character in various schemes with the spin-up states as metallic and spin-down corresponds to semiconducting. The spin magnetic moment in Ba2ZnReO6 was found to be 1.00 µB. The overall prediction from the material projects its essential stand in electrode and spintronic based applications.