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Optical properties of N-doped Cu2O films and relevant analysis with first-principles calculations

Pu Chun-Ying Li Hong-Jing Tang Xin Zhang Qing-Yu

Optical properties of N-doped Cu2O films and relevant analysis with first-principles calculations

Pu Chun-Ying, Li Hong-Jing, Tang Xin, Zhang Qing-Yu
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  • Received Date:  14 April 2011
  • Accepted Date:  18 June 2011
  • Published Online:  05 February 2012

Optical properties of N-doped Cu2O films and relevant analysis with first-principles calculations

  • 1. Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, School of Physics and Opto-electronic Technology, Dalian University of Technology, Dalian 116024, China;
  • 2. College of Materials Science and Engineering, Guilin University of Technology, Guilin 541004, China
Fund Project:  Projected supported by the National Natural Science Foundation of China (Grant No. 10904021), and the Key Basic Research Project from the Ministry of Science and Technology of China (Grant No. 2007CB616902).

Abstract: N-doped Cu2O films are deposited at different temperatures by sputtering a CuO target in the mixture of Ar and N2. By the analysis of transmission spectra, it is found that the N-doped Cu2O films are changed into a direct allowed band-gap semiconductor and the optical band gap energy is enlarged to 2.52±0.03 eV for the films deposited at different temperatures. The first-principles calculations indicate that the energy band gap increase by 25%, which is in good agreement with the experimental result. The change from a direct forbidden band-gap transition to a direct allowed band-gap transition can be attributed to the occupation of 2p electrons of N at the top of valence band in the N-doped Cu2O film.

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