1 Ocak 2021 Dergi makalesi Açık Erişim

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

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  <dc:creator>Abdullahi, Yusuf Zuntu</dc:creator>
  <dc:creator>Vatansever, Zeynep Demir</dc:creator>
  <dc:creator>Ersan, Fatih</dc:creator>
  <dc:creator>Akinci, Umit</dc:creator>
  <dc:creator>Akturk, Olcay Uzengi</dc:creator>
  <dc:creator>Akturk, Ethem</dc:creator>
  <dc:date>2021-01-01</dc:date>
  <dc:description>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.</dc:description>
  <dc:identifier>https://aperta.ulakbim.gov.trrecord/238880</dc:identifier>
  <dc:identifier>oai:aperta.ulakbim.gov.tr:238880</dc:identifier>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>http://www.opendefinition.org/licenses/cc-by</dc:rights>
  <dc:source>PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23(10) 6107-6115</dc:source>
  <dc:title>Ferromagnetic TM2BC (TM = Cr, Mn) monolayers for spintronic devices with high Curie temperature</dc:title>
  <dc:type>info:eu-repo/semantics/article</dc:type>
  <dc:type>publication-article</dc:type>
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