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  A complete catalogue of high-quality topological materials

Vergniory, M. G., Elcoro, L., Felser, C., Regnault, N., Bernevig, B. A., & Wang, Z. (2019). A complete catalogue of high-quality topological materials. Nature, 566(7745), 480-485. doi:10.1038/s41586-019-0954-4.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0009-0CC6-B Version Permalink: https://hdl.handle.net/21.11116/0000-0009-4FBB-D
Genre: Journal Article

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https://doi.org/10.1038/s41586-019-0954-4 (Publisher version)
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 Creators:
Vergniory, M. G.1, Author
Elcoro, L.1, Author
Felser, Claudia1, Author
Regnault, Nicolas1, Author
Bernevig, B. Andrei2, Author
Wang, Zhijun1, Author
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1External Organizations, ou_persistent22              
2Max Planck Institute of Microstructure Physics, Max Planck Society, Weinberg 2, 06120 Halle, DE, ou_2415691              

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 Abstract: Using a recently developed formalism called topological quantum chemistry, we perform a high-throughput search of ‘high-quality’ materials (for which the atomic positions and structure have been measured very accurately) in the Inorganic Crystal Structure Database in order to identify new topological phases. We develop codes to compute all characters of all symmetries of 26,938 stoichiometric materials, and find 3,307 topological insulators, 4,078 topological semimetals and no fragile phases. For these 7,385 materials we provide the electronic band structure, including some electronic properties (bandgap and number of electrons), symmetry indicators, and other topological information. Our results show that more than 27 per cent of all materials in nature are topological. We provide an open-source code that checks the topology of any material and allows other researchers to reproduce our results.

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 Dates: 2020-05-282019-02-272019-02-28
 Publication Status: Issued
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 Identifiers: BibTex Citekey: P13763
DOI: 10.1038/s41586-019-0954-4
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Title: Nature
  Abbreviation : Nature
Source Genre: Journal
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Publ. Info: London : Nature Publishing Group
Pages: - Volume / Issue: 566 (7745) Sequence Number: - Start / End Page: 480 - 485 Identifier: ISSN: 0028-0836
CoNE: https://pure.mpg.de/cone/journals/resource/954925427238