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First-principles calculation of p-Zn1-xMgxO electronic structure by doping with Al and N

Liu Qiang Cheng Xin-Lu Fan Yong-Heng Yang Xiang-Dong

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First-principles calculation of p-Zn1-xMgxO electronic structure by doping with Al and N

Liu Qiang, Cheng Xin-Lu, Fan Yong-Heng, Yang Xiang-Dong
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  • The first principles calculation of plane wave ultra-soft pseu-dopotential method based upon the denstiy functional theory and generalized gradient approximation have been adopted to investigate the energy band structure and electronic density of states and Mulilken charge population of Al and N codoped Zn1-xMgxO. The calculation indicates that the Al and N codoped Zn1-xMgxO has the trend of forming p-type Zn1-xMgxO.
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  • Abstract views:  6894
  • PDF Downloads:  1219
  • Cited By: 0
Publishing process
  • Received Date:  01 February 2008
  • Accepted Date:  16 September 2008
  • Published Online:  05 February 2009

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