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Three-dimensional organic Dirac-line materials due to nonsymmorphic symmetry: A data mining approach
Stockholm University, Nordic Institute for Theoretical Physics (Nordita). KTH Royal Institute of Technology, Sweden.
Stockholm University, Nordic Institute for Theoretical Physics (Nordita). KTH Royal Institute of Technology, Sweden.
Stockholm University, Nordic Institute for Theoretical Physics (Nordita). KTH Royal Institute of Technology, Sweden.
Number of Authors: 4
2017 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 95, no 4, 041103Article in journal (Refereed) Published
Abstract [en]

A datamining study of electronic Kohn-Sham band structures was performed to identify Dirac materials within the Organic Materials Database. Out of that, the three-dimensional organic crystal 5,6-bis(trifluoromethyl)-2-methoxy-1H-1,3-diazepine was found to host different Dirac-line nodes within the band structure. From a group theoretical analysis, it is possible to distinguish between Dirac-line nodes occurring due to twofold degenerate energy levels protected by the monoclinic crystalline symmetry and twofold degenerate accidental crossings protected by the topology of the electronic band structure. The obtained results can be generalized to all materials having the space group P2(1)/c (No. 14, C-2h(5)) by introducing three distinct topological classes.

Place, publisher, year, edition, pages
2017. Vol. 95, no 4, 041103
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:su:diva-140218DOI: 10.1103/PhysRevB.95.041103ISI: 000391855500002OAI: oai:DiVA.org:su-140218DiVA: diva2:1078988
Available from: 2017-03-07 Created: 2017-03-07 Last updated: 2017-11-29Bibliographically approved

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Geilhufe, R. MatthiasBorysov, Stanislav S.Balatsky, Alexander V.
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