Catalogue of flat-band stoichiometric materials

Nicolas Regnault (), Yuanfeng Xu (), Ming-Rui Li, Da-Shuai Ma, Milena Jovanovic, Ali Yazdani, Stuart S. P. Parkin, Claudia Felser, Leslie M. Schoop, N. Phuan Ong, Robert J. Cava, Luis Elcoro, Zhi-Da Song and B. Andrei Bernevig ()
Additional contact information
Nicolas Regnault: Princeton University
Yuanfeng Xu: Max Planck Institute of Microstructure Physics
Ming-Rui Li: Tsinghua University
Da-Shuai Ma: Beijing Institute of Technology
Milena Jovanovic: Princeton University
Ali Yazdani: Princeton University
Stuart S. P. Parkin: Max Planck Institute of Microstructure Physics
Claudia Felser: Max Planck Institute for Chemical Physics of Solids
Leslie M. Schoop: Princeton University
N. Phuan Ong: Princeton University
Robert J. Cava: Princeton University
Luis Elcoro: University of the Basque Country UPV/EHU
Zhi-Da Song: Princeton University
B. Andrei Bernevig: Princeton University

Nature, 2022, vol. 603, issue 7903, 824-828

Abstract: Abstract Topological electronic flattened bands near or at the Fermi level are a promising route towards unconventional superconductivity and correlated insulating states. However, the related experiments are mostly limited to engineered materials, such as moiré systems1–3. Here we present a catalogue of the naturally occuring three-dimensional stoichiometric materials with flat bands around the Fermi level. We consider 55,206 materials from the Inorganic Crystal Structure Database catalogued using the Topological Quantum Chemistry website4,5, which provides their structural parameters, space group, band structure, density of states and topological characterization. We combine several direct signatures and properties of band flatness with a high-throughput analysis of all crystal structures. In particular, we identify materials hosting line-graph or bipartite sublattices—in either two or three dimensions—that probably lead to flat bands. From this trove of information, we create the Materials Flatband Database website, a powerful search engine for future theoretical and experimental studies. We use the database to extract a curated list of 2,379 high-quality flat-band materials, from which we identify 345 promising candidates that potentially host flat bands with charge centres that are not strongly localized on the atomic sites. We showcase five representative materials and provide a theoretical explanation for the origin of their flat bands close to the Fermi energy using the S-matrix method introduced in a parallel work6.

Date: 2022
References: Add references at CitEc
Citations: View citations in EconPapers (1)

Downloads: (external link)
https://www.nature.com/articles/s41586-022-04519-1 Abstract (text/html)
Access to the full text of the articles in this series is restricted.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:nature:v:603:y:2022:i:7903:d:10.1038_s41586-022-04519-1

Ordering information: This journal article can be ordered from
https://www.nature.com/

DOI: 10.1038/s41586-022-04519-1

Access Statistics for this article

Nature is currently edited by Magdalena Skipper

More articles in Nature from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().