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

The electronic structures and optical properties of N-doped ZnO bulks and nanotubes are investigated using the firstprinciples 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.