A complete catalogue of high-quality topological materials

M G Vergniory^#^{1

2

3}, L Elcoro^#⁴, Claudia Felser⁵, Nicolas Regnault⁶, B Andrei Bernevig^{7

8

9}, Zhijun Wang^{10

11}

Affiliations

¹ Donostia International Physics Center, San Sebastian, Spain.
² IKERBASQUE, Basque Foundation for Science, Bilbao, Spain.
³ Applied Physics Department II, University of the Basque Country UPV/EHU, Bilbao, Spain.
⁴ Department of Condensed Matter Physics, University of the Basque Country UPV/EHU, Bilbao, Spain.
⁵ Max Planck Institute for Chemical Physics of Solids, Dresden, Germany.
⁶ Laboratoire de Physique de l'École Normale Supérieure, PSL University, CNRS, Sorbonne Université, Université Paris Diderot, Sorbonne Paris Cité, Paris, France.
⁷ Department of Physics, Princeton University, Princeton, NJ, USA. bernevig@princeton.edu.
⁸ Physics Department, Freie Universität Berlin, Berlin, Germany. bernevig@princeton.edu.
⁹ Max Planck Institute of Microstructure Physics, Halle, Germany. bernevig@princeton.edu.
¹⁰ Department of Physics, Princeton University, Princeton, NJ, USA. zjwang@princeton.edu.
¹¹ Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing, China. zjwang@princeton.edu.

^# Contributed equally.

PMID: 30814710
DOI: 10.1038/s41586-019-0954-4

A complete catalogue of high-quality topological materials

M G Vergniory et al. Nature. 2019 Feb.

. 2019 Feb;566(7745):480-485.

doi: 10.1038/s41586-019-0954-4. Epub 2019 Feb 27.

Authors

M G Vergniory^#^{1

2

3}, L Elcoro^#⁴, Claudia Felser⁵, Nicolas Regnault⁶, B Andrei Bernevig^{7

8

9}, Zhijun Wang^{10

11}

Affiliations

¹ Donostia International Physics Center, San Sebastian, Spain.
² IKERBASQUE, Basque Foundation for Science, Bilbao, Spain.
³ Applied Physics Department II, University of the Basque Country UPV/EHU, Bilbao, Spain.
⁴ Department of Condensed Matter Physics, University of the Basque Country UPV/EHU, Bilbao, Spain.
⁵ Max Planck Institute for Chemical Physics of Solids, Dresden, Germany.
⁶ Laboratoire de Physique de l'École Normale Supérieure, PSL University, CNRS, Sorbonne Université, Université Paris Diderot, Sorbonne Paris Cité, Paris, France.
⁷ Department of Physics, Princeton University, Princeton, NJ, USA. bernevig@princeton.edu.
⁸ Physics Department, Freie Universität Berlin, Berlin, Germany. bernevig@princeton.edu.
⁹ Max Planck Institute of Microstructure Physics, Halle, Germany. bernevig@princeton.edu.
¹⁰ Department of Physics, Princeton University, Princeton, NJ, USA. zjwang@princeton.edu.
¹¹ Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing, China. zjwang@princeton.edu.

^# Contributed equally.

PMID: 30814710
DOI: 10.1038/s41586-019-0954-4

Erratum in

Author Correction: A complete catalogue of high-quality topological materials.
Vergniory MG, Elcoro L, Felser C, Regnault N, Bernevig BA, Wang Z. Vergniory MG, et al. Nature. 2020 Jun;582(7812):E13. doi: 10.1038/s41586-020-2304-y. Nature. 2020. PMID: 32461696

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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A complete catalogue of high-quality topological materials

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A complete catalogue of high-quality topological materials

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