Open AccessFirst-principles study of the optical properties of ZnO doped with Al, Ni
Author(s) -
Li Guan,
Qiang Li,
Qing Zhao,
Guo Jian-Xin,
Zhou Yang,
Lei Jin,
Bo Geng,
Baoting Liu
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.5624
Subject(s) - materials science , doping , dielectric function , dielectric , range (aeronautics) , attenuation coefficient , band gap , electronic band structure , absorption (acoustics) , reflectivity , optoelectronics , condensed matter physics , optics , composite material , physics
The lattice structure, band structure, density of state and optical properties of pure ZnO, Al, Ni doped ZnO and Al-Ni codoped ZnO were calculated by first-principles method respectively. The results reveal that the imaginary part of the dielectric function of pure ZnO and Al-ZnO, Ni-ZnO, Al,Ni-ZnO have an obvious difference in the low energy range, but are similar in the high energy range. As to the optical properties, the absorption coefficient and reflectivity of Al-ZnO are much smaller than Ni-ZnO, which means a higher transmissivity in the visible light range. Especially, compared with Al, Ni doped ZnO, Al,Ni-ZnO has a significant change in the optical properties.