First-principles investigations of electronic structures and optical properties in wurtzite Zn16O13N2F and Znl4O15Ag2F

• 来源期刊: 中国光学快报（英文版）
• 年，卷（期）: 2011,（1）
• 页码范围: 68-71
• 页数: 4页
• 语种: 英文
• DOI: 10.3788/COL201109.011601

摘要

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.