Title: Investigation on the electronic and optical properties of Al-doped ZnO nanostructures

Authors: Liqiang Zhang; Yi Guo; Yunqing Tang; Dongjing Liu

Addresses: Laboratory of Advanced Design, Manufacturing and Reliability for MEMS/NEMS/ODES, School of Mechanical Engineering, Jiangsu University, Zhenjiang, 212013, China ' School of Mechanical Engineering, Henan Institute of Engineering, Zhengzhou, 451191, China ' Laboratory of Advanced Design, Manufacturing and Reliability for MEMS/NEMS/ODES, School of Mechanical Engineering, Jiangsu University, Zhenjiang, 212013, China ' Laboratory of Advanced Design, Manufacturing and Reliability for MEMS/NEMS/ODES, School of Mechanical Engineering, Jiangsu University, Zhenjiang, 212013, China

Abstract: In order to investigate the electronic structures and optical properties of Al-doped ZnO materials, the characteristics such as band structure, density of states, complex dielectric constant of pure ZnO nanowires and Al-doped ZnO were studied by using first-principle method based on the density function theory (DFT). With the Al doping increasing, the band gap of Al-doped ZnO narrows, which is different from that of Al-doped ZnO nano-thin films. It supplies the theoretical reference value for the modulation of the band gap and optical properties of Al-doped ZnO.

Keywords: electronic structures; optical properties; Al-doped zinc oxide; aluminium doping; ZnO nanostructures; nanotechnology; ZnO nanowires; band structure; density function theory; dielectric constant; band gap; density of states.

DOI: 10.1504/IJMSI.2013.057922

International Journal of Materials and Structural Integrity, 2013 Vol.7 No.4, pp.251 - 259

Published online: 12 Jul 2014 *

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