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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        "name": "Abdullahi, Yusuf Zuntu"
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      {
        "affiliation": "Dokuz Eylul Univ, Dept Phys, Fac Sci, Tinaztepe Campus, TR-35390 Izmir, Turkey", 
        "name": "Vatansever, Zeynep Demir"
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      {
        "affiliation": "Adnan Menderes Univ, Dept Phys, TR-09010 Aydin, Turkey", 
        "name": "Ersan, Fatih"
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      {
        "affiliation": "Dokuz Eylul Univ, Dept Phys, Fac Sci, Tinaztepe Campus, TR-35390 Izmir, Turkey", 
        "name": "Akinci, Umit"
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      {
        "name": "Akturk, Olcay Uzengi"
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      {
        "name": "Akturk, Ethem"
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    "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.", 
    "doi": "10.1039/d0cp05802e", 
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    "journal": {
      "issue": "10", 
      "pages": "6107-6115", 
      "title": "PHYSICAL CHEMISTRY CHEMICAL PHYSICS", 
      "volume": "23"
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    "license": {
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    "publication_date": "2021-01-01", 
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    "title": "Ferromagnetic TM2BC (TM = Cr, Mn) monolayers for spintronic devices with high Curie temperature"
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