1 Ocak 2024 Dergi makalesi Açık Erişim

Souifi, Karim; Raddaoui, Ghada; Nasri, M.; Khelif, J.; Berdimurodov, Elyor; Demir, Muslum; Khirouni, Kamel; Aliev, Nizomiddin

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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/265542</identifier>
  <creators>
    <creator>
      <creatorName>Souifi, Karim</creatorName>
      <givenName>Karim</givenName>
      <familyName>Souifi</familyName>
      <affiliation>Univ Gabes, Higher Inst Appl Sci &amp; Technol Gabes ISSATG, Res Unit Adv Mat Appl Mech Innovat Proc &amp; Environm, Gabes 6072, Tunisia</affiliation>
    </creator>
    <creator>
      <creatorName>Raddaoui, Ghada</creatorName>
      <givenName>Ghada</givenName>
      <familyName>Raddaoui</familyName>
      <affiliation>Univ Gabes, Higher Inst Appl Sci &amp; Technol Gabes ISSATG, Res Unit Adv Mat Appl Mech Innovat Proc &amp; Environm, Gabes 6072, Tunisia</affiliation>
    </creator>
    <creator>
      <creatorName>Nasri, M.</creatorName>
      <givenName>M.</givenName>
      <familyName>Nasri</familyName>
      <affiliation>Univ Kairouan, Fac Sci &amp; Technol Sidi Bouzid, Univ Campus Agr City, Sidi Bouzid 9100, Tunisia</affiliation>
    </creator>
    <creator>
      <creatorName>Khelif, J.</creatorName>
      <givenName>J.</givenName>
      <familyName>Khelif</familyName>
    </creator>
    <creator>
      <creatorName>Berdimurodov, Elyor</creatorName>
      <givenName>Elyor</givenName>
      <familyName>Berdimurodov</familyName>
    </creator>
    <creator>
      <creatorName>Demir, Muslum</creatorName>
      <givenName>Muslum</givenName>
      <familyName>Demir</familyName>
    </creator>
    <creator>
      <creatorName>Khirouni, Kamel</creatorName>
      <givenName>Kamel</givenName>
      <familyName>Khirouni</familyName>
      <affiliation>Univ Gabes, Fac Sci Gabes Cite Erriadh, Lab Phys Materiaux &amp; Nanomateriaux Appliquee Envir, Gabes 6079, Tunisia</affiliation>
    </creator>
    <creator>
      <creatorName>Aliev, Nizomiddin</creatorName>
      <givenName>Nizomiddin</givenName>
      <familyName>Aliev</familyName>
      <affiliation>Tashkent State Univ Econ, Tashkent 100066, Uzbekistan</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Insights Into Structural, Electronic, Optical Properties, And Impedance Spectroscopy Of Semi-Doped Perovskite Nd0.5Ba0.5Coo3: A Theoretical And Experimental Study</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2024</publicationYear>
  <dates>
    <date dateType="Issued">2024-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/265542</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1016/j.physb.2023.415535</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">&lt;p&gt;In this study, the electronic, structural, and optical properties of semi-doped perovskite Nd0.5Ba0.5CoO3 (NBCO) were investigate using the CASTEP software, which relies on density functional theory (DFT) along with the correlation function of generalized gradient approximation (GGA) and Perdew-Burke-Ernzerhof (PBE). The mesh parameters of the (super) cell indicate that NBCO adopts an orthorhombic structure in the Pmmm space group, featuring a Coulomb Energy (EC) of approximately-244 eV. DFT and total density of states (DOS) analyses reveal that the as-prepared perovskite manifests metallic characteristics, and a notable covalent interaction is observed between the O-p and Co-d spin states, indicating strong hybridization between these orbitals. Remarkably, NBCO demonstrates 100 % spin polarization (P) at the Fermi level, with a calculated total magnetic moment of approximately 3.44 mu B. Moreover, low dielectric loss (tg delta) values suggest facile electron movement, and impedance spectroscopy illustrates a dielectric relaxation phenomenon. DFT calculations predict an ortho-rhombic crystal structure with higher electron density at cobalt atom positions. Band structure and DOS analyses affirm metallic behavior owing to the robust hybridization between oxygen-p and cobalt-d orbitals. Optical property assessments reveal potential applications in spintronics and optoelectronics, with notable absorption in the ultraviolet-visible range. The conductivity spectra from impedance spectroscopy contribute to understanding temperature-dependent charge transport mechanisms. Dielectric constants decrease with increasing frequency and temperature, while dielectric losses remain low, indicating efficient electron movement. The material ad-heres to a metallic conduction mechanism as described by Drude's law, and the material's 100 % spin polari-zation at the Fermi level and a total magnetic moment of 3.44 mu B are significant findings. Negative dielectric constants observed at specific frequencies suggest potential applications in metamaterials. Overall, the deter-mined properties position NBCO cobaltite as a promising candidate for high-frequency devices, spintronic components, and sensors.&lt;/p&gt;</description>
  </descriptions>
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