Structural phase transition and magnetic behavior in two-dimensional rhenium-doped molybdenum diselenide

ORAL

Abstract

Typical Group VIB transition metal dichalcogenides are layered van der Waals compounds with a semiconducting behavior due to 2H symmetry. The 1T/1T' symmetry imparts semimetallic behavior but isn't as energetically stable; these phases are typically obtained via lithium intercalation. Here, we demonstrate the 2H-1T' stable phase transition via controllable incorporation of rhenium in 2D MoSe2 using chemical vapor deposition. The phase transition is revealed via HAADF-STEM imaging and complimented by DFT simulations. In addition, we also show the emergence of magnetic ordering in such 2D alloys which pave the way for tuning these phase fractions for applications in electronics and/or spintronics.

*This work was supported by the Computational Materials Sciences Program funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award No. DE-SC00014607. The simulations were performed at the Argonne Leadership Computing Facility under the DOE INCITE program and at the Cen

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Presenters

  • Amey Anant Apte

    • Materials Science & NanoEngineering, Rice University

Authors

  • Amey Anant Apte

    • Materials Science & NanoEngineering, Rice University

  • Vidya Kochat

    • Materials Science & NanoEngineering, Rice University
    • MSNE, Rice Univ

  • Jordan Hachtel

    • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory
    • Oak Ridge National Laboratory, Center for Nanophase Materials

  • Hiroyuki Kumazoe

    • Physics, Kumamoto University

  • Aravind Krishnamoorthy

    • Physics & Astronomy, University of Southern California
    • Univ of Southern California
    • Physics, University of Southern California
    • University of Southern California

  • Sandhya Susarla

    • Materials Science & NanoEngineering, Rice University
    • MSNE, Rice Univ

  • Juan Carlos Idrobo

    • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory
    • Oak Ridge National Laboratory, Center for Nanophase Materials

  • Fuyuki Shimojo

    • Physics, Kumamoto University
    • Kumamoto University
    • Department of Physics, Kumamoto University

  • Priya Vashishta

    • Univ of Southern California
    • Physics & Astronomy, University of Southern California
    • University of Southern California
    • Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California
    • Collaboratory of Advanced Computing and Simulations, Univ of Southern California
    • Collaboratory for Advanced Computing and Simulations, University of Southern California
    • Physics, University of Southern California

  • Rajiv Kalia

    • Univ of Southern California
    • Physics & Astronomy, University of Southern California
    • University of Southern California
    • Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California
    • Collaboratory of Advanced Computing and Simulations, Univ of Southern California
    • Collaboratory for Advanced Computing and Simulations, University of Southern California
    • Physics, University of Southern California

  • Aiichiro Nakano

    • Univ of Southern California
    • Physics & Astronomy, University of Southern California
    • University of Southern California
    • Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California
    • Collaboratory of Advanced Computing and Simulations, Univ of Southern California
    • Physics, University of Southern California

  • Chandra Sekhar Tiwary

    • Materials Science & NanoEngineering, Rice University
    • MSNE, Rice Univ

  • Pulickel Ajayan

    • Materials Science & NanoEngineering, Rice University
    • MSNE, Rice Univ
    • Department of Materials Science and Nano Engineering, Rice University
    • Department of Materials Science and Nanoengineering, Rice university
    • Rice University