Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19
Geilhufe, R. Matthias
Borysov, Stanislav S.
Balatsky, Alexander V.
- Journal Article
Rights / licenseCreative Commons Attribution 4.0 International
We combined the group theory and data mining approach within the Organic Materials Database that leads to the prediction of stable Dirac-point nodes within the electronic band structure of three-dimensional organic crystals. We find a particular space group P212121 (#19) that is conducive to the Dirac nodes formation. We prove that nodes are a consequence of the orthorhombic crystal structure. Within the electronic band structure, two different kinds of nodes can be distinguished: 8-fold degenerate Dirac nodes protected by the crystalline symmetry and 4-fold degenerate Dirac nodes protected by band topology. Mining the Organic Materials Database, we present band structure calculations and symmetry analysis for 6 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 Show more
Journal / seriesScientific Reports
PublisherNature Publishing Group
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