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arXiv · 1904.12487

Realization of Lieb Lattice in Covalent-organic Frameworks with Tunable Topology and Magnetism

Bin Cui·Xingwen Zheng·Jianfeng Wang·Desheng Liu·Shijie Xie·Bing Huang
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Abstract

Lieb lattice, a two-dimensional edge-depleted square lattice, has been predicted to host various exotic electronic properties due to its unusual band structure, i.e., Dirac cone intersected by a flat band (Dirac-flat bands). Until now, although a few artificial Lieb lattices have been discovered in experiments, the realization of a Lieb lattice in a real material is still unachievable. In this article, based on tight-binding modeling and first-principles calculations, we predict that the two covalent organic frameworks (COFs), i.e., sp2C-COF and sp2N-COF, which have been synthesized in the recent experiments, are actually the first two material realizations of organic-ligand-based Lieb lattice. It is found that the lattice distortion can govern the bandwidth of the Dirac-flat bands and in turn determine its electronic instability against spontaneous spin-polarization during carrier doping. The spin-orbit coupling effects could drive these Dirac-flat bands in a distorted Lieb lattice presenting nontrivial topological properties, which depend on the position of Fermi level. Interestingly, as the hole doping concentration increases, the sp2C-COF can experience the phase transitions from a paramagnetic state to a ferromagnetic one and then to a N\'eel antiferromagnetic one. 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 d- (f-) orbital-free organic lattices.

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Bin Cui, Xingwen Zheng, Jianfeng Wang, Desheng Liu, Shijie Xie, Bing Huang. 2019-04-29. Realization of Lieb Lattice in Covalent-organic Frameworks with Tunable Topology and Magnetism. https://doi.org/10.1038/s41467-019-13794-y

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