1 Ocak 2020 Dergi makalesi Açık Erişim

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

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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/10213</identifier>
  <creators>
    <creator>
      <creatorName>Duru, I. P.</creatorName>
      <givenName>I. P.</givenName>
      <familyName>Duru</familyName>
      <affiliation>Marmara Univ, Fac Sci &amp; Arts, Dept Phys, TR-35722 Istanbul, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Ozugurlu, E.</creatorName>
      <givenName>E.</givenName>
      <familyName>Ozugurlu</familyName>
      <affiliation>Istanbul Tech Univ, Fac Sci &amp; Letters, Dept Math, TR-35469 Istanbul, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Arda, L.</creatorName>
      <givenName>L.</givenName>
      <familyName>Arda</familyName>
      <affiliation>Bahcesehir Univ, Fac Engn &amp; Naturel Sci, Dept Mechatron Engn, TR-35359 Istanbul, Turkey</affiliation>
    </creator>
  </creators>
  <titles>
    <title>A First-Principles Study Of Mg/Ni Induced Magnetic Properties Of Zn0.95-Xmgxni0.05O</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2020</publicationYear>
  <dates>
    <date dateType="Issued">2020-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/10213</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1016/j.jmmm.2020.166653</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="http://www.opendefinition.org/licenses/cc-by">Creative Commons Attribution</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">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 ( &amp;gt; 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.</description>
  </descriptions>
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