Electronic structure and magnetism of V-doped AlN

Based on spin-polarized density function theory, Electronic structure and magnetism of V-doped AlN are investigated. 6.25% V-doped AlN is found half-metallic with 100% carrier spin polarization of the conduction carriers. Per supercell has a net magnetic moment of 2μB, which are mostly localized within the VN4 tetrahedron. V-doped AlN favors ferromagnetic ground state which can be explained by double exchange mechanism. To study the effects of electron correlation, GGA+U calculations have been performed. Besides, formation energy is good for V doping. Our results suggest that the V-doped AlN may present a promising material and has potential applications in semiconductor spintronics devices.