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The spin-polarized first-principles calculation is performed to investigate the structural, electronic, magnetic and optical properties of the Zn1-xNixO systems with x=0.00, 0.25, 0.50, 0.75, 1.00. Except for Zn0.5Ni0.5O with a tetragonal structure, the other Zn1-xNixO systems are cubic structure. Although pure ZnO is a nonmagnetic semiconductor with a band gap of 1.43eV, the Zn0.75Ni0.25O, Zn0.5Ni0...
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