Journal of the Korean Institute of Electrical and Electronic Material Engineers (한국전기전자재료학회논문지)

The Korean Institute of Electrical and Electronic Material Engineers (한국전기전자재료학회)
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First-Principles Study of Magnetic Interactions between Transition Metal Ions in ZnO

ZnO내 전이 금속 불순물의 자기적 특성에 관한 제일원리 연구

  • Lee, Eun-Cheol (College of Bio-Nano Technology, Kyungwon University)
  • 이은철 (경원대학교 바이오나노대학)
  • Received : 2010.05.10
  • Accepted : 2010.05.23
  • Published : 2010.06.01
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Abstract

Based on first-principles calculations, we study the magnetic properties of Co, Ni, Fe, V, and Mn impurities in ZnO. The stabilities of the ferromagnetic state and the magnetic moment of each impurity largely depend on the amount of doped electron or hole. For lightly doped n-type ZnO, it is found that the doping of Ni ions is the most effective for inducing ferromagnetism, while Fe ions show the most stable ferromagnetic couplings for heavily doped n-type samples. The characteristics of the magnetic interactions of Co ions are similar with those of Fe ions, but Co ions require much larger amount of doped electron than Fe ions to show the ferromagnetic couplings. The ferromagnetic coupling between Mn and V ions is unstable in n-type conditions.

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References

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