Realization of Lieb lattice in covalent-organic frameworks with tunable topology and magnetism.,Nature Communications

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Realization of Lieb lattice in covalent-organic frameworks with tunable topology and magnetism.
Nature Communications ( IF 14.7 ) Pub Date : 2020-01-02 , DOI: 10.1038/s41467-019-13794-y
Bin Cui ₁ , Xingwen Zheng ₁ , Jianfeng Wang ₂ , Desheng Liu ₁ , Shijie Xie ₁ , Bing Huang ₂

Affiliation

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.

中文翻译：

在具有可调拓扑和磁性的共价有机框架中实现利布晶格。

由于其不寻常的狄拉克平带结构，利布晶格被预测具有各种奇异的电子特性。然而，在真实材料中实现利布晶格仍然无法实现。基于紧束缚建模，我们发现晶格畸变可以显着决定利布晶格的电子和拓扑性质。重要的是，基于第一性原理计算，我们预测现有的两种共价有机框架（COF），即sp2C-COF和sp2N-COF，实际上是基于有机配体的Lieb晶格的前两种材料实现。有趣的是，随着载流子掺杂浓度的增加，sp2C-COF可以经历从顺磁态到铁磁态再到尼尔反铁磁态的相变。我们的研究结果不仅证实了 COF 中 Lieb 晶格的首次材料实现，而且还提供了一种在有机晶格中实现可调谐拓扑和磁性的可能方法。

更新日期：2020-01-02

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