Structural and magnetic stabilization of edges of layered zigzag graphene nanoribbons

ORAL

Abstract

We report first-principle study on structural and magnetic stabilization of bilayer and trilayer zigzag graphene nanoribbons with two different edge alignments. Our results showed that (I) structural deformation only happens in layered ZGNRs with a- alignment edges; the ground state of the bi-layered ZGNR with a- alignment edges is nonmagnetic; while that of the tri-layered ZGNR with a-alignment edges is magnetic even with structural deformation; (II) layered ZGNRs with $\beta$-alignment edges are always flat and have magnetic ground states; (III) the intra-layer magnetic order in a layered ZGNR is always antiferromagnetic near each edge regardless of edge alignment and number of layers, as long as its ground state is magnetic; (IV) with the increasing of the number of layers, the magnetic order of the ground states can be complex and non-collinear.

–

Authors

  • Jun-Qiang Lu

    University of Puerto Rico at Mayaguez

  • Philip Adams

    Department of Physics and Astronomy, Louisiana State University, ORNL, UT, ORNL/UT, UK, LSU, Louisiana State University, Zhejiang Normal University, Center for Computation and Technology, Louisiana State University, University of Tuebingen, Germany, Aristotle University of Thessaloniki, Greece, Max Planck Institute for Astrophysics, Max Plank Institute for Astrophysics, Laboratoire d'Astrophysique de Marseille, Albert Einstein Institute, California Institute of Technology, Dept. of Physics \& Astronomy, Louisiana State University, Baton Rouge, LA 70803, Dept. of Physics \& Astronomy, Louisiana State Univ., Baton Rouge, LA 70803, NASA Marshall Space Flight Center, Dept. of Physics \& Astronomy, Louisiana State University, Ohio State University, Wright State University, Department of Physics, North Carolina A\&T State University, Clark Atlanta University, Department of Electrical and Computer Engineering, Pennsylvania State University, University Park, P, Princeton University, University of New Orleans, Alabama A\&M University, Vanderbilt Univ., Konstanz Univ., Isik Univ., Department of Physics, Yale University

  • Philip Adams

    Department of Physics and Astronomy, Louisiana State University, ORNL, UT, ORNL/UT, UK, LSU, Louisiana State University, Zhejiang Normal University, Center for Computation and Technology, Louisiana State University, University of Tuebingen, Germany, Aristotle University of Thessaloniki, Greece, Max Planck Institute for Astrophysics, Max Plank Institute for Astrophysics, Laboratoire d'Astrophysique de Marseille, Albert Einstein Institute, California Institute of Technology, Dept. of Physics \& Astronomy, Louisiana State University, Baton Rouge, LA 70803, Dept. of Physics \& Astronomy, Louisiana State Univ., Baton Rouge, LA 70803, NASA Marshall Space Flight Center, Dept. of Physics \& Astronomy, Louisiana State University, Ohio State University, Wright State University, Department of Physics, North Carolina A\&T State University, Clark Atlanta University, Department of Electrical and Computer Engineering, Pennsylvania State University, University Park, P, Princeton University, University of New Orleans, Alabama A\&M University, Vanderbilt Univ., Konstanz Univ., Isik Univ., Department of Physics, Yale University

  • Philip Adams

    Department of Physics and Astronomy, Louisiana State University, ORNL, UT, ORNL/UT, UK, LSU, Louisiana State University, Zhejiang Normal University, Center for Computation and Technology, Louisiana State University, University of Tuebingen, Germany, Aristotle University of Thessaloniki, Greece, Max Planck Institute for Astrophysics, Max Plank Institute for Astrophysics, Laboratoire d'Astrophysique de Marseille, Albert Einstein Institute, California Institute of Technology, Dept. of Physics \& Astronomy, Louisiana State University, Baton Rouge, LA 70803, Dept. of Physics \& Astronomy, Louisiana State Univ., Baton Rouge, LA 70803, NASA Marshall Space Flight Center, Dept. of Physics \& Astronomy, Louisiana State University, Ohio State University, Wright State University, Department of Physics, North Carolina A\&T State University, Clark Atlanta University, Department of Electrical and Computer Engineering, Pennsylvania State University, University Park, P, Princeton University, University of New Orleans, Alabama A\&M University, Vanderbilt Univ., Konstanz Univ., Isik Univ., Department of Physics, Yale University

  • Philip Adams

    Department of Physics and Astronomy, Louisiana State University, ORNL, UT, ORNL/UT, UK, LSU, Louisiana State University, Zhejiang Normal University, Center for Computation and Technology, Louisiana State University, University of Tuebingen, Germany, Aristotle University of Thessaloniki, Greece, Max Planck Institute for Astrophysics, Max Plank Institute for Astrophysics, Laboratoire d'Astrophysique de Marseille, Albert Einstein Institute, California Institute of Technology, Dept. of Physics \& Astronomy, Louisiana State University, Baton Rouge, LA 70803, Dept. of Physics \& Astronomy, Louisiana State Univ., Baton Rouge, LA 70803, NASA Marshall Space Flight Center, Dept. of Physics \& Astronomy, Louisiana State University, Ohio State University, Wright State University, Department of Physics, North Carolina A\&T State University, Clark Atlanta University, Department of Electrical and Computer Engineering, Pennsylvania State University, University Park, P, Princeton University, University of New Orleans, Alabama A\&M University, Vanderbilt Univ., Konstanz Univ., Isik Univ., Department of Physics, Yale University