论文标题

二阶和真正的Chern拓扑绝缘子在扭曲的双层中$α$ -graphyne

Second-order and real Chern topological insulator in twisted bilayer $α$-graphyne

论文作者

Liu, Bin-Bin, Zeng, Xu-Tao, Chen, Cong, Chen, Ziyu, Sheng, Xian-Lei

论文摘要

近年来,对高阶和真实拓扑状态以及物质实现的研究已成为拓扑缩合物物理学的研究最前沿。事实证明,扭曲的双层石墨烯(TBG)具有高阶和实际拓扑。但是,该结论是否可以扩展到其他二维扭曲的双层碳材料,其背后的机制缺乏探索。在本文中,我们将扭曲的双层$α$ -graphyne(tbgpy)以较大的扭曲角度确定为真实的Chern绝缘子(也称为Stiefel-Whitney绝缘子)和二阶拓扑绝缘子。我们的第一原理计算表明,tbgpy在21.78 $^\ circ $稳定在100 k时稳定,散装间隙比TBG更大。从第一原理和紧密结合计算中证明了非平凡的拓扑指标,包括真实的Chern数量和分数电荷以及局部间隙角状态。此外,使用$ \ MATHCAL C_ {6Z} $对称性,我们证明了两个指标之间的等价性,并解释了角状态的存在。为了破译从Moiré异质结构继承的真实和高阶拓扑,我们构建了一个有效的四个频带紧密结合模型,该模型以大扭曲角度捕获TBGPY的拓扑和分散。通过打破有效模型的$ \ Mathcal C_ {2Y} $对称性来证明向微不足道的绝缘子的拓扑相变,该模型对TBGPY的微不足道的洞察力将扭曲角度降低到我们的第一大分子计算所暗示的9.43 $^\ Circ $。

The study of higher-order and real topological states as well as the material realization have become a research forefront of topological condensed matter physics in recent years. Twisted bilayer graphene (tbG) is proved to have higher-order and real topology. However whether this conclusion can be extended to other two-dimensional twisted bilayer carbon materials and the mechanism behind it lack explorations. In this paper, we identify the twisted bilayer $α$-graphyne (tbGPY) at large twisting angle as a real Chern insulator (also known as Stiefel-Whitney insulator) and a second-order topological insulator. Our first-principles calculations suggest that the tbGPY at 21.78$^\circ$ is stable at 100 K with a larger bulk gap than the tbG. The non-trivial topological indicators, including the real Chern number and a fractional charge, and the localized in-gap corner states are demonstrated from first-principles and tight-binding calculations. Moreover, with $\mathcal C_{6z}$ symmetry, we prove the equivalence between the two indicators, and explain the existence of the corner states. To decipher the real and higher-order topology inherited from the Moiré heterostructure, we construct an effective four band tight-binding model capturing the topology and dispersion of the tbGPY at large twisting angle. A topological phase transition to a trivial insulator is demonstrated by breaking the $\mathcal C_{2y}$ symmetry of the effective model, which gives insights on the trivialization of the tbGPY as reducing the twisting angle to 9.43$^\circ$ suggested by our first-principles calculations.

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