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 · Science · 2022

basic_science · Level V

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Abstract

Topological quantum chemistry and symmetry-based indicators have facilitated large-scale searches for materials with topological properties at the Fermi energy (<i>E</i><sub>F</sub>). We report the implementation of a publicly accessible catalog of stable and fragile topology in all of the bands both at and away from <i>E</i><sub>F</sub> 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 Bi<sub>2</sub>Mg<sub>3</sub>. We find that 52.65% of all materials are topological at <i>E</i><sub>F</sub>, 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.