Chinese Optics Letters, 2011, 9 (1): 011601, Published Online: Jan. 7, 2011
First-principles investigations of electronic structures and optical properties in wurtzite Zn16O13N2F and Zn14O15Ag2F Download: 581次
光学性质 半导体 第一性原理计算 电子结构 160.2100 Electro-optical materials 160.6000 Semiconductor materials 160.4760 Optical properties
Abstract
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.
Jing Wen, Chunying Zuo, Cheng Zhong. First-principles investigations of electronic structures and optical properties in wurtzite Zn16O13N2F and Zn14O15Ag2F[J]. Chinese Optics Letters, 2011, 9(1): 011601.