Structural, electrical and optical properties of ZnO nanoparticle: combined experimental and theoretical study

• Published in: Applied physics. A, Materials science & processing Vol. 124; no. 8; pp. 1 - 7
• Main Authors: Kaddes, M., Omri, K., Kouaydi, N., Zemzemi, M.
• Format: Journal Article
• Language: English
• Published: Berlin/Heidelberg Springer Berlin Heidelberg 01-08-2018; Springer Nature B.V
• Subjects: Applied physics; Band gap; Characterization and Evaluation of Materials; Condensed Matter Physics; Density functional theory; Infrared spectroscopy; Machines; Manufacturing; Materials science; Mathematical analysis; Nanoparticles; Nanotechnology; Optical and Electronic Materials; Optical properties; Physics; Physics and Astronomy; Processes; Semiconductor materials; Sol-gel processes; Surfaces and Interfaces; Thin Films; Wurtzite; X ray powder diffraction; Zinc oxide; Zinc oxides
• ISSN: 0947-8396; 1432-0630
• DOI: 10.1007/s00339-018-1921-x

We investigated the structural, electrical and optical properties of zinc oxide using experimental prepared by the sol–gel technique and ab initio pseudopotential approach based on density functional theory (DFT). This combination between experimental and theoretical study of zinc oxide showed a enhance the band gap of ZnO to make it suitable for a wide range of applications. The X-ray powder diffraction (XRD) and the UV–Vis–IR spectroscopy were used in the experimental part. The structural properties of ZnO nanoparticle proved the wurtzite phase. The loss tangent and dielectric constant were studied as a function of frequency. The obtained band gap was 3.35 eV. In the theoretical part, the calculations of structural properties coincided with the experimental data. Electronic calculations proved that ZnO semiconductor materials had a direct band gap. Through the approximation used, the value of this gap was underestimated.