"First-Principles Studies of Topological Semimetal Features in the Nonpolar Phase of Ferromagnetic Hexgonal Manganites YXO3 (X=V-Co)"

ORAL

Abstract

Hexagonal Manganites have garnered much attention in the condensed matter community due to their multiferroic properties. Here, we use first principles calculations to examine the topological properties of their band structures. While the noncollinear antiferromagnetism common in this compound class generally yields insulating states, we find that energetically-nearby ferromagnetic ordering can cause metallic band structures with topological nodal features in the nonpolar P63/mmc phase. Starting with YMnO3 we substitute different 3d transition metals for Mn and examine the resultant trends in band structure as a function of B site cation. In particular we find that YVO3 and YCrO3 have nodal lines near the Fermi level due a band inversion which can be tuned via biaxial strain. Based on our findings, stabilizing YXO3 compounds in the hexagonal ferromagnetic phase, for example via epitaxial growth, can offer a promising platform for studying the interplay of topology and multiferroicity.

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Presenters

  • Sophie Weber

    University of California, Berkeley,CA

Authors

  • Sophie Weber

    University of California, Berkeley,CA

  • Sinead Magella Griffin

    Lawrence Berkeley National Laboratory, Molecular Foundry, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Lab, Berkeley, CA

  • Jeffrey B Neaton

    Molecular Foundry, Lawrence Berkeley National Lab, University of California, Berkeley, Lawrence Berkeley National Laboratory, Molecular Foundry, Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, UC Berkeley/Lawrence Berkeley Natl Lab, Lawrence Berkeley National Lab, Berkeley, CA, Physics, University of California, Berkeley, Molecular Foundry, LBNL; UC Berkeley; Kavli ENSI, Lawrence Berkeley National Laboratory, University of California - Berkeley, Kavli Energy NanoSciences Institute at Berkeley