Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19

Abstract 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 t...

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Autores principales:	R. Matthias Geilhufe, Stanislav S. Borysov, Adrien Bouhon, Alexander V. Balatsky
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/13a7120dd9dd40fe85791c96e3a454e8
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spelling	oai:doaj.org-article:13a7120dd9dd40fe85791c96e3a454e82021-12-02T16:06:21ZData Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 1910.1038/s41598-017-07374-72045-2322https://doaj.org/article/13a7120dd9dd40fe85791c96e3a454e82017-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-07374-7https://doaj.org/toc/2045-2322Abstract 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.R. Matthias GeilhufeStanislav S. BorysovAdrien BouhonAlexander V. BalatskyNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-7 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q R. Matthias Geilhufe Stanislav S. Borysov Adrien Bouhon Alexander V. Balatsky Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19
description	Abstract 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.
format	article
author	R. Matthias Geilhufe Stanislav S. Borysov Adrien Bouhon Alexander V. Balatsky
author_facet	R. Matthias Geilhufe Stanislav S. Borysov Adrien Bouhon Alexander V. Balatsky
author_sort	R. Matthias Geilhufe
title	Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19
title_short	Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19
title_full	Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19
title_fullStr	Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19
title_full_unstemmed	Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19
title_sort	data mining for three-dimensional organic dirac materials: focus on space group 19
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/13a7120dd9dd40fe85791c96e3a454e8
work_keys_str_mv	AT rmatthiasgeilhufe dataminingforthreedimensionalorganicdiracmaterialsfocusonspacegroup19 AT stanislavsborysov dataminingforthreedimensionalorganicdiracmaterialsfocusonspacegroup19 AT adrienbouhon dataminingforthreedimensionalorganicdiracmaterialsfocusonspacegroup19 AT alexandervbalatsky dataminingforthreedimensionalorganicdiracmaterialsfocusonspacegroup19
_version_	1718385007615016960

Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19

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