CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Magnetic properties of nitrogen doped ZnO |
Shi Li-Bin(史力斌)†, Jin Jian-Wei(金健维), and Zhang Tian-Qian(张天羡) |
Department of Physics, Bohai University, Jinzhou 121013, Liaoning Province, China |
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Abstract Using the first principle method based on density functional theory, this paper studies the electronic structure and the ferromagnetic stability in N-doped ZnO. The calculated results based on local density approximation (LDA) and LDA+U method show that ferromagnetism coupling between N atoms is more energetically favourable for eight geometrically distinct configurations. The dominant ferromagnetic interaction is due to the hybridization between O 2p and N 2p. The origin of the ferromagnetic state in N doped ZnO is discussed by analysing coupling between N 2p levels. We also analyse N dopant concentration and lattice strain effect on ferromagnetism.
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Received: 19 May 2010
Revised: 15 July 2010
Accepted manuscript online:
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PACS:
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61.72.S-
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(Impurities in crystals)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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71.20.Nr
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(Semiconductor compounds)
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75.50.Dd
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(Nonmetallic ferromagnetic materials)
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75.50.Pp
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(Magnetic semiconductors)
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Fund: Project supported by the Science Foundation from the Educational Department of Liaoning Province of China (Grant No. L2010003). |
Cite this article:
Shi Li-Bin(史力斌), Jin Jian-Wei(金健维), and Zhang Tian-Qian(张天羡) Magnetic properties of nitrogen doped ZnO 2010 Chin. Phys. B 19 127001
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