Magnetism and optical properties of (Fe, Ni) co-doped 3C-SiC from first principles calculation

Abstract

The electronic structures, magnetic properties and optical properties of (Fe, Ni) co-doped 3C-SiC system are systematically studied based on the first principles calculation. The results show that Fe single doped, Ni single doped, and (Fe, Ni) co-doped system all induce magnetism. The most stable (Fe, Ni) co-doped systems is determined by calculating the magnetic coupling energies of ten different configuration. The (Fe, Ni) co-doped systems indicated that have a higher Curie temperature and the (1, 7) configuration significantly improves FM stability compared to other configurations. In addition, the results of the optical properties of (Fe, Ni) co-doped 3C-SiC exist absorption in the entire infrared, visible, and ultraviolet light regions, which has a substantial change compared with the undoped system. An effective way is comfirmed to improve the magnetic and optical performance of 3C-SiC.

Mixed magnetic behavior in gadolinium and ruthenium co-doped nickel oxide nanoparticles

“…Dilute Magnetic Semiconductors (DMS) attracted the applied technologies for their capability of controlling the spin and charge of the electrons simultaneously. DMS combine the ferromagnetic and semiconducting properties at room temperature, rendering them promising candidates for spintronic devices [1,2].…”