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Chinese Optics Letters

Chinese Optics Letters


  • Vol. 9, Iss. 1 — Jan. 10, 2011
  • pp: 011601–

First-principles investigations of electronic structures and optical properties in wurtzite Zn16O13N2F and Zn14O15Ag2F

Jing Wen, Chunying Zuo, and Cheng Zhong  »View Author Affiliations

Chinese Optics Letters, Vol. 9, Issue 1, pp. 011601- (2011)

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Generally, Ag and N can be taken as relatively better candidates for p-type ZnO. In this letter, we investigate the electronic structures and optical properties of N- or Ag-doped ZnO with F as the reactive donor. F atom is found to not only enhance acceptor solubilities, but also lower acceptor levels in the band gap of co-doped ZnO. In addition, we analyze the imaginary portion of the dielectric functions, refractive indices, and loss functions for pure and co-doped ZnO. A comparison with pure ZnO shows that the remarkable feature for these co-doped ZnO is a strong absorption in the visible light region, indicating that they could be taken as the potential candidates for photocatalytic material.

© 2011 Chinese Optics Letters

OCIS Codes
(160.2100) Materials : Electro-optical materials
(160.4760) Materials : Optical properties
(160.6000) Materials : Semiconductor materials

Jing Wen, Chunying Zuo, and Cheng Zhong, "First-principles investigations of electronic structures and optical properties in wurtzite Zn16O13N2F and Zn14O15Ag2F," Chin. Opt. Lett. 9, 011601- (2011)

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