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

• 作 者: 郑红梅 房晓勇 蔡丽霞 尹爱查 金海波 于晓霞 曹茂盛
• 机 构: School of Science, Yanshan University,School of Materials Science and Engineering,Beijing Institute
• 出 处: Chinese Physics B
• 发表日期: 2014年12期
• 关键词: nanotubes doping nanotube dielectric ultraviolet isotropic visible directions qu

The electronic structures and optical properties of N-doped Zn O bulks and nanotubes are investigated using the firstprinciples density functional method. The calculated results show that the main optical parameters of Zn O bulks are isotropic(especially in the high frequency region), while Zn O nanotubes exhibit anisotropic optical properties. N doping results show that Zn O bulks and nanotubes present more obvious anisotropies in the low-frequency region. Thereinto, the optical parameters of N-doped Zn O 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 Zn O bulks and nanotubes each contain an obvious spectral band in the deep ultraviolet(UV)(100 nm～ 300 nm). For each of N-doped Zn O 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 Zn O.

The electronic structures and optical properties of N-doped Zn O bulks and nanotubes are investigated using the first principles of density functional method. The calculated results show that the main optical parameters of Zn O bulks are isotropic (especially in the high frequency region), while Zn There are no more obvious anisotropies in the low-frequency region. Thereinto, the optical parameters of N-doped Zn O 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. absorption coefficients of Zn O bulks and nanotubes each contain an obvious spectral band in the deep ultraviolet (UV) (100 nm ~ 300 nm). For each of N-doped Zn O bulks and n anotubes, 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 Zn O.