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

Structural and magnetic properties of Zn1-xNixO 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 center dot 2H(2)O) and Nickel acetate (C4H6O4Ni center dot 2H(2)O) on a heated glass substrate at 450 degrees C. The films were characterized by X-ray diffraction (XRD), UV-Vis spectrophotometry and Hall Erect 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 eV to 3.5 eV, with increasing the Ni concentration. The film resistivity was affected by Ni-doping, and the best resistivity value 1.15 x 10(-2) (Omega cm) was obtained for the film doped with 2 at.% Ni. The electronic structure and optical properties of the Wurtzite structure Zn1-xNixO were obtained by first-principles calculations using the Korringa-Kohn-Rostoker method combined with the coherent potential approximation (CPA), as well as CPA con firm our results.