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First-principles Study on Magnetism of Cu in GaN

  • Kang, Byung-Sub (Department of Physics and BK21 Physics Program, Chungbuk National University) ;
  • Heo, Chul-Min (Department of Physics and BK21 Physics Program, Chungbuk National University) ;
  • Lyu, Kwang-Kwyun (Department of Physics and BK21 Physics Program, Chungbuk National University) ;
  • Yu, Seong-Cho (Department of Physics and BK21 Physics Program, Chungbuk National University)
  • Published : 2009.09.30

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 ($Cu_{0.055}Ga_{0.945}$)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%.

Keywords

References

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