期刊
JOURNAL OF APPLIED PHYSICS
卷 106, 期 2, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3176490
关键词
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资金
- National Basic Research Program of China [G2009CB929300]
- National Natural Science Foundation of China [60521001, 60776061]
The electronic structure and magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO have been investigated using first-principles methods. We show that the magnetic coupling between Gd or Nd ions in the nearest neighbor sites is ferromagnetic. The stability of the ferromagnetic coupling between Gd ions can be enhanced by appropriate electron doping into ZnO: Gd system and the room-temperature ferromagnetism can be achieved. However, for ZnO: Nd system, the ferromagnetism between Nd ions can be enhanced by appropriate holes doping into the sample. The room-temperature ferromagnetism can also be achieved in the n-conducting ZnO: Nd sample. Our calculated results are in good agreement with the conclusions of the recent experiments. The effect of native defects (V-Zn, V-O) on the ferromagnetism is also discussed. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3176490]
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