Ferromagnetic properties in V-Doped AlN from first principles

摘要

Using the first-principles method based on the density functional theory, we have calculated electronic structure of zinc blende AlN doped with 6.25% of V. The V dopants are found spin polarized and the calculated band structures suggest a 100% polarization of the conduction carriers. The ferromagnetic ground state in V-doped AlN can be explained in terms of double-exchange mechanism, and a Curie temperature above room temperature can be expected. These results suggest that the V-doped AlN may present a promising dilute magnetic semiconductor and find applications in the field of spintronics.