A Lieb-like lattice in a covalent-organic framework and its Stoner ferromagnetism

Wei Jiang, Huaqing Huang, Feng Liu

Research output: Contribution to journalArticle

12 Scopus citations

Abstract

Lieb lattice has been extensively studied to realize ferromagnetism due to its exotic flat band. However, its material realization has remained elusive; so far only artificial Lieb lattices have been made experimentally. Here, based on first-principles and tight-binding calculations, we discover that a recently synthesized two-dimensional sp2 carbon-conjugated covalent-organic framework (sp2c-COF) represents a material realization of a Lieb-like lattice. The observed ferromagnetism upon doping arises from a Dirac (valence) band in a non-ideal Lieb lattice with strong electronic inhomogeneity (EI) rather than the topological flat band in an ideal Lieb lattice. The EI, as characterized with a large on-site energy difference and a strong dimerization interaction between the corner and edge-center ligands, quenches the kinetic energy of the usual dispersive Dirac band, subjecting to an instability against spin polarization. We predict an even higher spin density for monolayer sp2c-COF to accommodate a higher doping concentration with reduced interlayer interaction.

Original languageEnglish (US)
Article number2207
JournalNature communications
Volume10
Issue number1
DOIs
StatePublished - Dec 1 2019

PubMed: MeSH publication types

  • Journal Article
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

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