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  All topological bands of all nonmagnetic stoichiometric materials

G. Vergniory, M., Wieder, B. J., Elcoro, L., Parkin, S. S. P., Felser, C., Bernevig, B. A., et al. (2022). All topological bands of all nonmagnetic stoichiometric materials. SCIENCE, 376(6595): 816, pp. 1-9. doi:10.1126/science.abg9094.

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 Creators:
G. Vergniory, Maia1, Author           
Wieder, Benjamin J.2, Author
Elcoro, Luis2, Author
Parkin, Stuart S. P.2, Author
Felser, Claudia3, Author           
Bernevig, B. Andrei2, Author
Regnault, Nicolas2, Author
Affiliations:
1Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
2External Organizations, ou_persistent22              
3Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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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 (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 Bi2Mg3. 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.

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Language(s): eng - English
 Dates: 2022-05-202022-05-20
 Publication Status: Published in print
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 Identifiers: ISI: 000798495000028
DOI: 10.1126/science.abg9094
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Title: SCIENCE
Source Genre: Journal
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Pages: - Volume / Issue: 376 (6595) Sequence Number: 816 Start / End Page: 1 - 9 Identifier: ISSN: 0036-8075