First-principles study on magnetism of Cu in GaN

Abstract

The electronic properties of Cu or Pd-doped GaN at several concentrations are examined using the full-potential linear muffin-tin orbital method. For (Cu0.055Ga0.945)N, the model reveals a magnetic moment of 1.47μB per supercell. The range of concentrations that are spin-polarized should be restricted within narrow limits. A paramagnetic to ferromagnetic phase transition is found to occur at a Cu concentration of 5.55%. © 2009 Journal of Magnetics.