Abstract
The structural, electronic, and optical properties of zinc oxide thin films with Al-doping have been investigated experimentally and with density functional theory (DFT) calculations. Changes in properties of doped thin films, which are deposited on a glass substrate by a high-frequency magnetron sputtering method, are monitored using X-ray diffraction data and UV measurements. Our theoretical calculations show that the electronic structure of ZnO: Al can be well described by the DFT+U method. The XRD measurements demonstrated the formation of a pure single ZnO phase and Al atoms is well incorporated in the ZnO lattice. Also, we determine the optical constants such as optical dielectric function, refractive index, optical band gap values, extinction coefficient, and optical conductivity of the doping films through transmittance spectra. The calculated results show the change of lattice parameters Al-doped ZnO. The optical band gap of ZnO: Al is increased compared with pure ZnO. Besides, around the Fermi level of Al-doped ZnO was emerged the shallow donor states from mainly 3s-Al states. Our DFT calculations of optical properties Al-doped ZnO agree satisfactorily with the experimentally measured transmittance values.
Highlights
IntroductionThe zinc oxide (ZnO)-based materials have many prospective implementations in various spintronic and optoelectronic devices involving light-emitting diodes, lasers, photodetectors, solar cells, magnetic memory devices, etc
The zinc oxide (ZnO) is well known as a wide-band semiconductor with a bandgap = 3.44 eV and exists in the hexagonal wurtzite-type form under normal conditions [1]
No additional peaks belonging to other oxides can be detected thereby indicating the formation of pure single ZnO phase, as well as that Al is well incorporated within ZnO lattice
Summary
The ZnO-based materials have many prospective implementations in various spintronic and optoelectronic devices involving light-emitting diodes, lasers, photodetectors, solar cells, magnetic memory devices, etc. Their remarkable structural, electronic, sensor, optical, and electrical properties, together with a large number of different preparation methods appropriate to the production of a high-quality film make them one of the most all-purpose materials in nowadays technology [2]. The ZnO: Al has wide possible applications as potential solar cell electrodes [4], transparent conductive oxide, and electrical conductivity [5], optoelectronic and photonic devices [6]. Among numerous techniques of growth of thin films, magnetron sputtering is one of the most favored methods for growing ZnO films because of its simpleness, low operating temperature, and low cost
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