A complete catalogue of high-quality topological materials

Vergniory MG, Elcoro L, Felser C, Regnault N, Bernevig BA, Wang Z (2019)

Publication Type: Journal article

Publication year: 2019

Journal

Nature Nature Research

Book Volume: 566

Pages Range: 480-485

Journal Issue: 7745

DOI: 10.1038/s41586-019-0954-4

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.

Involved external institutions

Donostia International Physics Center (DIPC) ES Spain (ES) University of Basque Country / Universidad del Pais Vasco (UPV) / Euskal Herriko Unibersitatea (EHU) ES Spain (ES) University of Paris 4 - Paris-Sorbonne / Université paris IV Paris-Sorbonne FR France (FR) Princeton University US United States (USA) (US) Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS) / Max Planck Institute for Chemical Physics of Solids DE Germany (DE)

How to cite

APA:

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. https://doi.org/10.1038/s41586-019-0954-4

MLA:

Vergniory, M. G., et al. "A complete catalogue of high-quality topological materials." Nature 566.7745 (2019): 480-485.

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