All topological bands of all nonmagnetic stoichiometric materials - Archive ouverte HAL
Article Dans Une Revue Science Année : 2022

All topological bands of all nonmagnetic stoichiometric materials

Résumé

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 from E F 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 2 Mg 3 . We find that 52.65% of all materials are topological at E 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.

Dates et versions

hal-03676908 , version 1 (24-05-2022)

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Citer

Maia Vergniory, Benjamin Wieder, Luis Elcoro, Stuart Parkin, Claudia Felser, et al.. All topological bands of all nonmagnetic stoichiometric materials. Science, 2022, 376 (6595), pp.816. ⟨10.1126/science.abg9094⟩. ⟨hal-03676908⟩
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