First-principles Study on Magnetism of Cu in GaN

The electronic properties of Cu or Pd-doped GaN at several concentrations are examined using the full-potential linear muffin-tin orbital method. For ($Cu_0.055Ga_0.945$)N, the model reveals a magnetic moment of $1.47{\mu}B$ 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%.