Experimental and theoretical studies on structural, morphological, electronic, optical and magnetic properties of Zn1-xCuxO thin films

dc.contributor.authorElhadj Benrezgua
dc.contributor.authorBahri Deghfel
dc.contributor.authorAbdelhafid Mahroug
dc.contributor.authorMuhamad Kamil Yaakob
dc.contributor.authorAmmar Boukhari
dc.contributor.authorRabie Amari
dc.contributor.authorSoorathep Kheawhom
dc.contributor.authorAhmad Azmin Mohamad
dc.date.accessioned2021-07-18T09:04:06Z
dc.date.available2021-07-18T09:04:06Z
dc.date.issued2021
dc.description.abstractPure and copper-doped zinc oxide thin films at different contents x (Zn1-xCuxO; 0≤x ≤ 0.125) were synthesized by sol–gel spin coating process and investigated using various techniques. All samples exhibited a polycrystalline with wurtzite hexagonal phase, which wasn't altered and getting relaxed by Cu-doping. The grain size increased and changed its growth mode from c-axis growth to lateral one and the surface morphology was strongly influenced with increasing level of Cu doping. As x increased, the transparency of films was generally increased in the visible region and the band gap energy (Eg) presented a slight shrinking, indicating that the prepared films are suitable for use in opto-electronic applications. Ferromagnetic phase was adopted within density functional theory corrected by Hubbard method (DFT+LDA+U) to investigate the structural, electronic, magnetic and optical properties of pure and CZO structure. The closest Cu impurities gave the more stable configuration. Cu3d states were distributed around Fermi level inducing a major contribution to the magnetic moment. A mix of ionic and covalent bonding was remarked. DFT + LDA + U enhanced significantly the calculated Eg, which presented a narrowing with x. The imaginary part of the dielectric functions presented three main peaks and their static constants were slightly influenced by Cu doping.en_US
dc.identifier.urihttp://dspace.univ-msila.dz:8080//xmlui/handle/123456789/25085
dc.subjectCopper-doped zinc oxide thin films Density functional theory Ferromagnetic phase Sol-gel technique Spin coating method LDA+U approachen_US
dc.titleExperimental and theoretical studies on structural, morphological, electronic, optical and magnetic properties of Zn1-xCuxO thin filmsen_US
dc.typeArticleen_US

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