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

Wei Jiang, Huaqing Huang, Feng Liu

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21 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

Bibliographical note

Funding Information:
This project is supported by U.S. DOE-BES (Grant No. DE-FG02-04ER46148). W.J. is additionally supported by the National Science Foundation-Material Research Science & Engineering Center (NSF-MRSEC grant No. DMR-1121252). We also thank the CHPC at the University of Utah and DOE-NERSC for providing the computing resources.

Publisher Copyright:
© 2019, The Author(s).

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