Line-graph-lattice crystal structures of stoichiometric materials

TL;DR

This paper conducts a high-throughput screening to identify new real materials and lattice models with line-graph structures, expanding the known examples beyond kagomé and pyrochlore lattices, and highlighting potential flat topological bands.

Contribution

It introduces a comprehensive screening method to find new line-graph lattice materials and models, revealing structures beyond traditional examples and potential flat topological bands.

Findings

Discovery of new line-graph lattice materials

Identification of materials with flat topological bands

Highlighting line-graph lattices with gapped flat bands

Abstract

The origin of many quantum-material phenomena is intimately related to the presence of flat electronic bands. In quantum simulation, such bands have been realized through line-graph lattices, a class of lattices known to exhibit flat bands. Based on that work, we conduct a high-throughput screening for line-graph lattices among the crystalline structures of the Materials Flatband Database and report on new candidates for line-graph materials and lattice models. In particular, we find materials with line-graph-lattice structures beyond the two most commonly known examples, the kagom\'e and pyrochlore lattices. We also identify materials which may exhibit flat topological bands. Finally, we examine the various line-graph lattices detected and highlight those with gapped flat bands and those most frequently represented among this set of materials. With the identification of real stoichiometric materials and theoretical lattice geometries, the results of this work may inform future studies of flat-band many-body physics in both condensed matter experiment and theory.