Realization of Lieb lattice in covalent-organic frameworks with tunable topology and magnetism

Bin Cui (), Xingwen Zheng, Jianfeng Wang, Desheng Liu, Shijie Xie and Bing Huang ()
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Bin Cui: Shandong University
Xingwen Zheng: Shandong University
Jianfeng Wang: Beijing Computational Science Research Center
Desheng Liu: Shandong University
Shijie Xie: Shandong University
Bing Huang: Beijing Computational Science Research Center

Nature Communications, 2020, vol. 11, issue 1, 1-8

Abstract: Abstract Lieb lattice has been predicted to host various exotic electronic properties due to its unusual Dirac-flat band structure. However, the realization of a Lieb lattice in a real material is still unachievable. Based on tight-binding modeling, we find that the lattice distortion can significantly determine the electronic and topological properties of a Lieb lattice. Importantly, based on first-principles calculations, we predict that the two existing covalent organic frameworks (COFs), i.e., sp2C-COF and sp2N-COF, are actually the first two material realizations of organic-ligand-based Lieb lattice. Interestingly, the sp2C-COF can experience the phase transitions from a paramagnetic state to a ferromagnetic one and then to a Néel antiferromagnetic one, as the carrier doping concentration increases. Our findings not only confirm the first material realization of Lieb lattice in COFs, but also offer a possible way to achieve tunable topology and magnetism in organic lattices.

Date: 2020
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DOI: 10.1038/s41467-019-13794-y

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