Topological Quantum Chemistry II: Predicting topological materials in layered systems

ORAL

Abstract

We continue to develop a theory that describes the connectivity of a band structure based on the real space positions of atoms in the material and their relevant orbitals. We develop criteria to determine when a topological band structure is possible and identify several promising crystal structures to search for topological (or topological crystalline) materials. We then apply this result to layered systems, i.e., stacked layers of hexagonal (graphene) or square lattices and generalizations and show which orbitals need to be at the Fermi level to yield a topological insulator. Using this information, we predict candidate topological materials.

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Authors

  • Jennifer Cano

    • Princeton Center for Theoretical Science, Princeton University, Princeton, New Jersey 08544, USA
    • Princeton University
    • Princeton Center for Theoretical Science

  • Barry Bradlyn

    • Princeton University
    • Princeton Center for Theoretical Science

  • Zhijun Wang

    • Department of Physics, Princeton University, Princeton, New Jersey 08544, USA
    • Princeton University
    • Department of Physics, Princeton University

  • M. G. Vergniory

    • Donostia International Physics Center, Donostia-San Sebastian, 20018 Spain
    • Donostia International Physics Center and University of the Basque Country

  • Luis Elcoro

    • Department of Condensed Matter Physics, University of the Basque Country UPV/EHU, Apartado 644, 48080 Bilbao, Spain
    • University of the Basque Country

  • Mois Aroyo

    • University of the Basque Country

  • Claudia Felser

    • MPI CPfS
    • Max Planck Institute for Chemical Physics of Solids, 01187 Dresden, Germany
    • Max Planck Institute for the Chemical Physics of Solids
    • Max-Planck-Institute for Chemical Physics of Solids, Dresden, Germany
    • Max Planck Institute for Chemical Physics of Solids

  • B. Andrei Bernevig

    • Department of Physics, Princeton University, Princeton, New Jersey 08544, USA
    • Princeton University