Stabilization of ferromagnetism in (Cr, V) co-doped ZnO diluted magnetic semiconductors

Abstract

Using the first principles calculations the magnetic and electronic properties of (Cr, V) co-doped ZnO have been studied. The ground state of Cr doped ZnO exhibits ferromagnetic order. The ferromagnetic state and the half metallicity, with 100% spin-polarization, can be stabilized when (Zn, Cr) O is co-doped with V. The magnetic moments of (Zn1−x−yVxCry)O mainly arise from the V atom with a little contribution from the Zn atoms, and both the Cr and V magnetic moments increase with the increase of V concentration. The obtained results are in good agreement with known experimental results on Cr and V-doping of ZnO which show a ferromagnetic behavior at room temperature.