All topological bands of all nonmagnetic stoichiometric materials

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

doi:10.1126/science.abg9094

All topological bands of all nonmagnetic stoichiometric materials

Journal Article · 20 May 2022 · Science

DOI:https://doi.org/10.1126/science.abg9094· OSTI ID:1980727

^[1]; ^[2]; Elcoro, Luis ^[3]; ^[4]; ^[5]; ^[6]; ^[7]

Donostia International Physics Center, 20018 Donostia–San Sebastian, Spain.; IKERBASQUE, Basque Foundation for Science, Bilbao, Spain.; Max Planck Institute for Chemical Physics of Solids, 01187 Dresden, Germany.
Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.; Department of Physics, Northeastern University, Boston, MA 02115, USA.; Department of Physics, Princeton University, Princeton, NJ 08544, USA.
Department of Condensed Matter Physics, University of the Basque Country UPV/EHU, 48080 Bilbao, Spain.
Max Planck Institute of Microstructure Physics, 06120 Halle, Germany.
Max Planck Institute for Chemical Physics of Solids, 01187 Dresden, Germany.
Department of Physics, Princeton University, Princeton, NJ 08544, USA.
Department of Physics, Princeton University, Princeton, NJ 08544, USA.; Laboratoire de Physique de l’École Normale Supérieure, PSL University, CNRS, Sorbonne Université, Université Paris Diderot, Sorbonne Paris Cité, Paris, France.

Topological quantum chemistry and symmetry-based indicators have facilitated large-scale searches for materials with topological properties at the Fermi energy (E_F). We report the implementation of a publicly accessible catalog of stable and fragile topology in all of the bands both at and away fromE_Fin 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 atE_F, 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.

Research Organization:: Princeton Univ., NJ (United States); Univ. of California, Oakland, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0016239; AC02-05CH11231

OSTI ID:: 1980727

Journal Information:: Science, Vol. 376, Issue 6595; ISSN 0036-8075

Publisher:: AAAS

Country of Publication:: United States

Language:: English

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