Data Mining for 3D Organic Dirac Materials

ORAL

Abstract

The study of Dirac materials, i.e. materials where the low-energy fermionic excitations behave as massless Dirac particles has been of ongoing interest for more than two decades. Such massless Dirac fermions are characterized by a linear dispersion relation with respect to the particle momentum. A combined study using group theory and data mining within the Organic Materials Database leads to the discovery of stable Dirac-point nodes and Dirac line-nodes within the electronic band structure in the class of 3-dimensional organic crystals. The nodes are protected by crystalline symmetry. As a result of this study, we present band structure calculations and symmetry analysis for previously synthesized organic materials. In all these materials, the Dirac nodes are well separated within the energy and located near the Fermi surface, which opens up a possibility for their direct experimental observation.

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Authors

  • Matthias Geilhufe

    Nordita, KTH Royal Institute of Technology and Stockholm University, Sweden, Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University, Roslagstullsbacken 23, SE-106 91 Stockholm, Sweden

  • Stanislav Borysov

    Nordita, KTH Royal Institute of Technology and Stockholm University, Sweden, Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University, Roslagstullsbacken 23, SE-106 91 Stockholm, Sweden

  • Adrien Bouhon

    Department of Physics and Astronomy, Uppsala University, Sweden, Uppsala Univ

  • Alexander Balatsky

    Nordita, KTH Royal Institute of Technology, Stockholm University and Los Alamos National Laboratory, Nordita, KTH Royal Institute of Technology and Stockholm University; Institute for Materials Science, Los Alamos National Laboratory, USA, Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University, Stockholm, Sweden, Nordita, KTH Royal Institute of Technology and Stockholm University; Institute for Materials Science, Los Alamos National Laboratory, Los Alamos National Laboratory, NORDITA, Institute for Materials Science, Los Alamos National Laboratory, USA; Nordita, KTH Royal Institute of Technology and Stockholm University, Sweden, Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University, Roslagstullsbacken 23, SE-106 91 Stockholm, Sweden, Nordita, Center for Quantum Materials, Stockholm University and KTH, Stockholm and Institute for Materials Science, LANL, Los Alamos, USA