Ferromagnetism in (Cr, Mn)-co-doped 3C–SiC analyzed using density functional theory

In this work, the influence of Cr and Mn impurity atoms on electronic structure magnetic properties 3C–SiC was analyzed by carrying out first-principles calculations using GGA + U method, Si vacancies co-doped system also considered. The results showed systems mono-doped with to be spin-polarized had total moments 3.05 5.00 μB, respectively. ferromagnetic state each various (Cr, Mn)-co-doped determined more stable than antiferromagnetic state, a magnetization energy −702.3 meV for most moment about 6.00 μB. Finally, effect doping considered basis Mn) co-doping. introduction reduced ferromagnetism system. performed in research have provided theoretical as spintronic device.