All topological bands of all nonmagnetic stoichiometric materials

Maia G. Vergniory, Benjamin J. Wieder, Luis Elcoro, Stuart S.P. Parkin, Claudia Felser, B. Andrei Bernevig, Nicolas Regnault

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

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.

Original languageEnglish (US)
Article numbereabg9094
JournalScience
Volume376
Issue number6595
DOIs
StatePublished - May 20 2022

All Science Journal Classification (ASJC) codes

  • General

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