Doctoral dissertations

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Elaboration, characterization and modeling of oxide-based nanostructured thin films
(Université de M'sila, 2022) Ammar BOUKHARI
The structural, morphological, electronic, and optical properties of pure, 4 %, and 7 % Mn-doped ZnO thin films deposited on glass substrate by the sol–gel spin coating process are investigated in this study. All films exhibited a hexagonal wurtzite structure with a strong c-axis preference. The surface morphology was uniform, with a cracks and wrinkles. With increasing thickness, the transmittance decreased. The bandgap energy varied inversely with the coatings number. photoluminescence spectra revealed ultraviolet with strong and weak blue emission peaks, as well as weak green emission peaks. The structural, electronic, and optical properties of pure and 6.25 % Mn-doped ZnO materials were then investigated using density functional theory and the Hubbard (DFT+U) approach. The DFT+U approach demonstrated a decrease in bandgap energy from pure to 6.25 % Mn-doped ZnO material. It was also discovered that the Mn3d states were distributed far from the Fermi level, with both ionic and covalent nature bonds coexisting. Mn doping caused a small shift in optical properties toward the lower energy. The theoretical findings were consistent with those obtained through experiment