Magnetoelectronic properties of Vanadium impurities co-doped (Cd, Cr)Te compound for spintronic devices: First principles calculations and Monte Carlo simulation

We have applied the first-principles calculations to investigate magnetoelectronic properties of Vanadium impurities co-doped (Cd, Cr)Te compound for spintronic devices. The ferromagnetic (FM) nature in (Cd, Cr)Te compound co-doped with V atoms has been found, and the mechanism responsible for this behavior has been considered to be the double exchange. Moreover, the Curie-temperature calculation reveals that the stability's field of the FM-phase rises with rising both the concentration of Cr and V atoms above ambient temperature. This system presents the half-metallic character where its polarization of spin is total at the Fermi level, and its total magnetic moment is principally induced by Cr and V elements. The spin-orbit coupling (SOC) typically play an important role in the electronic structure calculations due to both the concentration of Cr and V impurities. In addition to that, our results have been confirmed by the calculation of magnetization and susceptibility using the Monte Carlo simulation.