All topological bands of all nonmagnetic stoichiometric materials

Vergniory MG, Wieder BJ, Elcoro L, Parkin SSP, Felser C, Bernevig BA, Regnault N (2022)

Publication Type: Journal article

Publication year: 2022

Journal

Science American Association for the Advancement of Science

Book Volume: 376

Article Number: eabg9094

Journal Issue: 6595

DOI: 10.1126/science.abg9094

Abstract

Topological quantum chemistry and symmetry-based indicators have facilitated large-scale searches for materials with topological properties at the Fermi energy (EF). We report the implementation of a publicly accessible catalog of stable and fragile topology in all of the bands both at and away from EF in the 96,196 processable entries in the Inorganic Crystal Structure Database. Our calculations, which represent the completion of the symmetry-indicated band topology of known nonmagnetic materials, have enabled the discovery of repeat-topological and supertopological materials, including rhombohedral bismuth and Bi2Mg3. We find that 52.65% of all materials are topological at EF, roughly two-thirds of bands across all materials exhibit symmetry-indicated stable topology, and 87.99% of all materials contain at least one stable or fragile topological band.

Involved external institutions

Donostia International Physics Center (DIPC) ES Spain (ES) Massachusetts Institute of Technology (MIT) US United States (USA) (US) University of Basque Country / Universidad del Pais Vasco (UPV) / Euskal Herriko Unibersitatea (EHU) ES Spain (ES) Max-Planck-Institut für Mikrostrukturphysik (MSP) / Max Planck Institute for Microstructure Physics DE Germany (DE) 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., Wieder, B.J., Elcoro, L., Parkin, S.S.P., Felser, C., Bernevig, B.A., & Regnault, N. (2022). All topological bands of all nonmagnetic stoichiometric materials. Science, 376(6595). https://dx.doi.org/10.1126/science.abg9094

MLA:

Vergniory, Maia G., et al. "All topological bands of all nonmagnetic stoichiometric materials." Science 376.6595 (2022).

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