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

Wei Jiang, Huaqing Huang and Feng Liu ()
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Wei Jiang: University of Utah
Huaqing Huang: University of Utah
Feng Liu: University of Utah

Nature Communications, 2019, vol. 10, issue 1, 1-7

Abstract: 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.

Date: 2019
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DOI: 10.1038/s41467-019-10094-3

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