Topological Quantum Chemistry and Symmetry-Based Indicators have facilitated large-scale searches for materials with topological properties at the Fermi energy (EF). We report the completion of a publicly accessible catalog of stable and fragile topology in all of the bands both at and away from EF 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 Bi2Mg3. We find that 52.65% of all materials are topological at EF, 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.
@article{arxiv.2105.09954,
title = {All Topological Bands of All Nonmagnetic Stoichiometric Materials},
author = {Maia G. Vergniory and Benjamin J. Wieder and Luis Elcoro and Stuart S. P. Parkin and Claudia Felser and B. Andrei Bernevig and Nicolas Regnault},
journal= {arXiv preprint arXiv:2105.09954},
year = {2022}
}
Comments
212 pages, 108 figures, 34 tables. Final version. The Topological Materials Database is available either at the website https://www.topologicalquantumchemistry.com or its mirror https://www.topologicalquantumchemistry.fr