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Ferromagnetic TM2BC (TM = Cr, Mn) monolayers for spintronic devices with high Curie temperature

Abdullahi, Yusuf Zuntu; Vatansever, Zeynep Demir; Ersan, Fatih; Akinci, Umit; Akturk, Olcay Uzengi; Akturk, Ethem


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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/238880</identifier>
  <creators>
    <creator>
      <creatorName>Abdullahi, Yusuf Zuntu</creatorName>
      <givenName>Yusuf Zuntu</givenName>
      <familyName>Abdullahi</familyName>
    </creator>
    <creator>
      <creatorName>Vatansever, Zeynep Demir</creatorName>
      <givenName>Zeynep Demir</givenName>
      <familyName>Vatansever</familyName>
      <affiliation>Dokuz Eylul Univ, Dept Phys, Fac Sci, Tinaztepe Campus, TR-35390 Izmir, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Ersan, Fatih</creatorName>
      <givenName>Fatih</givenName>
      <familyName>Ersan</familyName>
      <affiliation>Adnan Menderes Univ, Dept Phys, TR-09010 Aydin, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Akinci, Umit</creatorName>
      <givenName>Umit</givenName>
      <familyName>Akinci</familyName>
      <affiliation>Dokuz Eylul Univ, Dept Phys, Fac Sci, Tinaztepe Campus, TR-35390 Izmir, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Akturk, Olcay Uzengi</creatorName>
      <givenName>Olcay Uzengi</givenName>
      <familyName>Akturk</familyName>
    </creator>
    <creator>
      <creatorName>Akturk, Ethem</creatorName>
      <givenName>Ethem</givenName>
      <familyName>Akturk</familyName>
    </creator>
  </creators>
  <titles>
    <title>Ferromagnetic Tm2Bc (Tm = Cr, Mn) Monolayers For Spintronic Devices With High Curie Temperature</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2021</publicationYear>
  <dates>
    <date dateType="Issued">2021-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/238880</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1039/d0cp05802e</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">Transition metal boro-carbide (TM2BC) structures crystallize in the layered orthorhombic structure in their bulk phases. In this study, however, we find that TM2BC (TM = Cr, Mn) prefer a tetragonal (t) crystal structure in their monolayer phases due to the occurrence of strong sp(2) bonds between the metal and B/C atoms instead of sp(3) + sp(2) bonds which exist in the orthorhombic phase. The calculated energy difference between the orthorhombic and the tetragonal structures based on density functional theory (DFT) is more than 1 eV per unit cell. In addition, t-Cr2BC and t-Mn2BC monolayers are dynamically and thermally stable with their magnetic metal electronic structures. For further investigations, we combine our DFT calculations with the Monte Carlo simulations and find that both t-TM2BC monolayers show ferromagnetic properties. The calculated Curie temperatures are 846 K and 128 K for t-Cr2BC and t-MnBC sheets, respectively. In addition, we examine the magnetic anisotropy energies (MAE) of t-TM2BC monolayers and find that both structures prefer out-of-plane as the easy axis magnetization direction and the applied electric field can easily modulate the MAE of the monolayers. Our theoretical calculations reveal that t-TM2BC (TM = Cr, Mn) sheets have great potential for the future design of controllable spintronic devices with their tunable MAE properties.</description>
  </descriptions>
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