1 Ocak 2020 Dergi makalesi Açık Erişim

Duru, I. P.; Ozugurlu, E.; Arda, L.

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      {
        "affiliation": "Marmara Univ, Fac Sci & Arts, Dept Phys, TR-35722 Istanbul, Turkey", 
        "name": "Duru, I. P."
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      {
        "affiliation": "Istanbul Tech Univ, Fac Sci & Letters, Dept Math, TR-35469 Istanbul, Turkey", 
        "name": "Ozugurlu, E."
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      {
        "affiliation": "Bahcesehir Univ, Fac Engn & Naturel Sci, Dept Mechatron Engn, TR-35359 Istanbul, Turkey", 
        "name": "Arda, L."
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    "description": "Magnetic properties of Mg/Ni doped ZnO were investigated by the first-principles study. The generalized gradient approximation (GGA) in Perdew-Burke-Ernzerhov of the scheme as a form of density functional theory (DFT) utilizing the plane-wave pseudo-potential method was used. Calculations were performed for a constant Ni doping ratio as 5% and different concentrations of Mg varying from 1% to 5%. It was shown that Mg concentrations helped to tune band gap and mediate the ferromagnetic property. 1% Mg-doped structure had a half-metallic ferromagnetic (HMF) state. Meanwhile, metallic behavior (MB) was observed for higher concentrations of Mg ( > 1%) impurities. It was revealed that Mg-doped ZnNiO possesses ferromagnetic behavior solely for 1% Mg while other doping ratios were showing distinctive phases including antiferromagnetism (AFM). Besides, there is no evidence of a clear connection between the doping concentration of the Mg and the magnetic phase. Ni distant/near oxygen vacancies (V-0) enhanced the FM state; however, distant vacancies led to HMF state for all Mg concentrations. Zn-d, O-p, and Ni-d (dominates) control the spin-up/down channels by hybridization.", 
    "doi": "10.1016/j.jmmm.2020.166653", 
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    "journal": {
      "title": "JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS", 
      "volume": "504"
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    "publication_date": "2020-01-01", 
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    "title": "A first-principles study of Mg/Ni induced magnetic properties of Zn0.95-xMgxNi0.05O"
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