Simple Chemical Rules for Predicting Band Structures of Kagome Materials

Milena Jovanovic, Leslie M. Schoop

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

Compounds featuring a kagome lattice are studied for a wide range of properties, from localized magnetism to massless and massive Dirac Fermions. These properties come from the symmetry of the kagome lattice, which gives rise to Dirac cones and flat bands. However, not all compounds with a kagome sublattice show properties related to it. We derive chemical rules predicting if the low-energy physics of a material is determined by the kagome sublattice and bands arising from it. After sorting out all known crystals with the kagome lattice into four groups, we use chemical heuristics and local symmetry to explain additional conditions that need to be met to have kagome bands near the Fermi level.

Original languageEnglish (US)
Pages (from-to)10978-10991
Number of pages14
JournalJournal of the American Chemical Society
Volume144
Issue number24
DOIs
StatePublished - Jun 22 2022

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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