Investigation on optoelectronic performances of Al, N codoped ZnO: First-principles method
作者： Ping Yang , Yanfang Zhao , Haiying Yang
DOI: 10.1016/J.CERAMINT.2014.10.059
关键词: Materials science 、 Absorption (electromagnetic radiation) 、 Electronic band structure 、 Doping 、 Absorption spectroscopy 、 Dielectric 、 Population 、 Density of states 、 Optoelectronics 、 Infrared
摘要: Abstract To analyze the electronic structure and optical properties of (Al, N) codoped ZnO, We investigated parameters such as band structure, density states (DOS), charge population, dielectric constant, absorption reflection spectra pure N-doped, Al–N Al–2N ZnO by using first-principles based on functional theory (DFT). The results demonstrated that cases N doping codoping performance p-type, can obtain a high quality more stable p-type ZnO. Compared with other conditions, real imaginary part function have significant increase move to lower energy direction; in ultraviolet visible region, spectrum increases greatly, red shift be observed; infrared reflectivity is about 4 times or may supply certain theoretical reference for study ZnO-based transparent conductive thin films.
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