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arXiv · 2105.09954

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
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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 completion 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 represent the completion of the symmetry-indicated band topology of known nonmagnetic materials, and enable the discovery of repeat-topological and supertopological materials, which include rhombohedral bismuth and Bi$_2$Mg$_3$. We find that 52.65% of all materials are topological at $E_{F}$, roughly $2/3$ of bands across all materials exhibit symmetry-indicated stable topology, and that 87.99% of all materials contain at least one stable or fragile topological band.

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Maia G. Vergniory, Benjamin J. Wieder, Luis Elcoro, Stuart S. P. Parkin, Claudia Felser, B. Andrei Bernevig, Nicolas Regnault. 2021-05-20. All Topological Bands of All Nonmagnetic Stoichiometric Materials. https://doi.org/10.1126/science.abg9094

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