English

All Topological Bands of All Nonmagnetic Stoichiometric Materials

Materials Science 2022-06-10 v2

Abstract

Topological Quantum Chemistry and Symmetry-Based Indicators have facilitated large-scale searches for materials with topological properties at the Fermi energy (EFE_{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 EFE_{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 Bi2_2Mg3_3. We find that 52.65% of all materials are topological at EFE_{F}, roughly 2/32/3 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.

Keywords

Cite

@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