Effects of N doping on photoelectric properties of along different directions of ZnO bulk and nanotube

doi:10.1088/1674-1056/23/12/126102

Abstract The electronic structures and optical properties of N-doped ZnO bulks and nanotubes are investigated using the first-principles density functional method. The calculated results show that the main optical parameters of ZnO bulks are isotropic (especially in the high frequency region), while ZnO nanotubes exhibit anisotropic optical properties. N doping results show that ZnO bulks and nanotubes present more obvious anisotropies in the low-frequency region. Thereinto, the optical parameters of N-doped ZnO bulks along the [100] direction are greater than those along the [001] direction, while for N-doped nanotubes, the variable quantities of optical parameters along the [100] direction are less than those along the [001] direction. In addition, refractive indexes, electrical conductivities, dielectric constants, and absorption coefficients of ZnO bulks and nanotubes each contain an obvious spectral band in the deep ultraviolet (UV) (100 nm～ 300 nm). For each of N-doped ZnO bulks and nanotubes, a spectral peak appears in the UV and visible light region, showing that N doping can broaden the application scope of the optical properties of ZnO.

Keywords: ZnO NTs N-doped ZnO electronic structure optical properties first-principles theory

Received: 04 April 2014
Revised: 30 June 2014
Accepted manuscript online:

PACS:	61.46.Fg	(Nanotubes)
	61.72.uj	(III-V and II-VI semiconductors)
	73.22.-f	(Electronic structure of nanoscale materials and related systems)
	63.20.dk	(First-principles theory)

Fund: Project supported by the State Key Program of the National Natural Science Foundation of China (Grant No. 51132002) and the Natural Science Foundation of Hebei Province, China (Grant No. A2011203026).

Corresponding Authors: Fang Xiao-Yong, Cao Mao-Sheng
E-mail: fang@ysu.edu.cn;caomaosheng@bit.edu.cn

Cite this article:

Zheng Hong-Mei (郑红梅), Fang Xiao-Yong (房晓勇), Cai Li-Xia (蔡丽霞), Yin Ai-Cha (尹爱查), Jin Hai-Bo (金海波), Yu Xiao-Xia (于晓霞), Cao Mao-Sheng (曹茂盛) Effects of N doping on photoelectric properties of along different directions of ZnO bulk and nanotube 2014 Chin. Phys. B 23 126102


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Effects of N doping on photoelectric properties of along different directions of ZnO bulk and nanotube

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