SYNTHESIS AND MAGNETIC PROPERTIES OF Ni-DOPED ZnO THIN FILMS: EXPERIMENTAL AND AB INITIO STUDY

Structural and magnetic properties of Zn[Formula: see text]NixO thin films and diluted magnetic semiconductors have been investigated. This sample has been synthesized using a spray pyrolysis technique with a stoechiometric mixture of zinc acetate (C4H6O4Zn[Formula: see text]2H2O) and Nickel acetate (C4H6O4Ni[Formula: see text] 2H2O) on a heated glass substrate at 450[Formula: see text]C. The films were characterized by X-ray diffraction (XRD), UV–Vis spectrophotometry and Hall Effect measurements. These films of ZnO crystallized in the hexagonal Wurtzite structure. The optical study showed that the band-gap energy was increased, from 3.3[Formula: see text]eV to 3.5[Formula: see text]eV, with increasing the Ni concentration. The film resistivity was affected by Ni-doping, and the best resistivity value 1.15[Formula: see text][Formula: see text][Formula: see text]10[Formula: see text] ([Formula: see text] cm) was obtained for the film doped with 2 at.% Ni. The electronic structure and optical properties of the Wurtzite structure Zn[Formula: see text]NixO were obtained by first-principles calculations using the Korringa–Kohn–Rostoker method combined with the coherent potential approximation (CPA), as well as CPA confirm our results.