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Catalogue of Flat Band Stoichiometric Materials

ORAL

Abstract

We present a complete catalogue of the stoichiometric materials with flat bands around the Fermi level that exist in nature and filter out all the materials with line-graph (sub-)lattice. By scanning the materials in the Topological Materials database, which contains the band structures of all ICSD materials with less than 80 atoms per unit cell, we identify the compounds that exhibit several degrees of band flatness on a significant fraction of the Brillouin zone. Among these materials, we identify the ones with topological flat bands in the specified energy window. By analyzing the crystal structures with symmetry groups, we perform a high-throughput search for materials, whose chemical elements are located at centers that form (either partial or full) 2D/3D line graph lattices. Besides, we also perform a corresponding preliminary classification of the materials with bipartite sublattice with different atoms in the two sublattices, whose band structure hosts non-trivial flat bands. We further perform a manual curation of the flat-band database to select the materials with the best extended flat bands and select several representative materials and explain the origin of the flat bands presented.

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Presenters

  • Mingrui Li

    Tsinghua University, Department of Physics, Tsinghua University

Authors

  • Mingrui Li

    Tsinghua University, Department of Physics, Tsinghua University

  • Yuanfeng Xu

    Max Planck Institute of Microstructure Physics, Max Planck Institute, Halle, Germany, Physics, Max Planck Institute of Microstructure, Max Planck Inst Microstructure

  • Da-Shuai Ma

    Princeton University, Key Lab of Advanced Optoelectronic Quantum Architecture and Measurement (MOE), Beijing Key Lab of Nanophotonics, and Ultrafine Optoelectronic Systems, and School of Physics,

  • Luis Elcoro

    Department of Condensed Matter Physics, University of the Basque Country, University of the Basque Country UPV/EHU, University of the Basque Country, University of the Basque Country, Spain

  • Zhida Song

    Department of Physics, Princeton University, Princeton University, Physics, Princeton University

  • Nai Phuan Ong

    Princeton University, Department of Physics, Princeton University

  • Stuart Parkin

    Max Planck Institute of Microstructure Physics, Max Planck Institute for Microstructure Physics,Halle(Saale),Germany, Max Planck Inst Microstructure

  • Claudia Felser

    Max Planck Institute for Chemical Physics of Solids, Max Planck Institute for the Chemical Physics of Solids, Solid State Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Institute, Dresden, Germany, Max Planck, Dresden, Max Planck Institute for Chemical Physics of Solids, 01187 Dresden, Max Planck Institute for Chemical Physics of Solids,

  • Ali Yazdani

    Princeton University, Joseph Henry Laboratories & Department of Physics, Princeton University

  • Robert Cava

    Princeton University, Department of Chemistry, Princeton University

  • Andrei B Bernevig

    Department of Physics, Princeton University, Princeton University, Princeto University, Princeton, USA, Physics, Princeton University

  • Nicolas Regnault

    Department of Physics, Princeton University, Princeton University, Princeton University, CNRS, ENS Paris, Princeto University, Princeton, USA