Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19
10.1038/s41598-017-07374-7
Crossref journal-article
Springer Science and Business Media LLC
Scientific Reports (297)
Abstract

AbstractWe 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.

Bibliography

Geilhufe, R. M., Borysov, S. S., Bouhon, A., & Balatsky, A. V. (2017). Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19. Scientific Reports, 7(1).

Authors 4
  1. R. Matthias Geilhufe (first)
  2. Stanislav S. Borysov (additional)
  3. Adrien Bouhon (additional)
  4. Alexander V. Balatsky (additional)
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Dates
Type When
Created 8 years ago (July 31, 2017, 6:59 a.m.)
Deposited 2 years, 8 months ago (Dec. 23, 2022, 3 a.m.)
Indexed 3 weeks ago (Aug. 6, 2025, 8:52 a.m.)
Issued 8 years ago (Aug. 4, 2017)
Published 8 years ago (Aug. 4, 2017)
Published Online 8 years ago (Aug. 4, 2017)
Funders 0

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@article{Geilhufe_2017, title={Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19}, volume={7}, ISSN={2045-2322}, url={http://dx.doi.org/10.1038/s41598-017-07374-7}, DOI={10.1038/s41598-017-07374-7}, number={1}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Geilhufe, R. Matthias and Borysov, Stanislav S. and Bouhon, Adrien and Balatsky, Alexander V.}, year={2017}, month=aug }