呼吸kagome-蜂窝晶格中反常谷霍尔效应和量子反常霍尔效应共存的预测,Physical Review B

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呼吸kagome-蜂窝晶格中反常谷霍尔效应和量子反常霍尔效应共存的预测
Physical Review B ( IF 3.2 ) Pub Date : 2021-12-13 , DOI: 10.1103/physrevb.104.245414
Lei Liu , Bao Zhao , Jiayong Zhang , Hairui Bao , Hao Huan , Yang Xue , Yue Li , Zhongqin Yang

为了探索谷自由度的行为，我们构建了一个呼吸 Kagome-honeycomb (BKH) 晶格，它由一个呼吸 Kagome 亚晶格 (BKL) 和一个呼吸蜂窝亚晶格 (BHL) 组成。许多没有空间反转对称性 (SIS) 的金属有机框架 (MOF) 可以建模为 BKH 晶格。基于紧束缚模型和第一性原理计算，研究了磁交换和自旋轨道耦合相互作用下所构建的 BKH 晶格的狄拉克锥的电子态和演化。在 BKH 晶格中实现了反常谷霍尔 (AVH) 和量子反常霍尔 (QAH) 效应的共存状态，即多重霍尔效应

p_{z}

位于 BKL 的轨道和

p_{X}

p_{是}

（并且

d_{X 是}

d_{X^{2} - 是^{2}}

) 位于 BHL 的轨道。共存状态的属性，包括谷极化状态（在

钾

或者

钾^{'}

) 和 QAH 效应的手性，由来自两个亚晶格的带的重叠样式决定。一个 MOF

C_{6} N_{3} H_{3} 金

建议使用 BKH 晶格。鉴于这种构建的 MOF 中 AVH 和 QAH 效应的共存，受 MOF 拓扑保护的金属边缘态是 100% 谷极化，与普通 QAH 效应不同。我们的结果提供了对没有 SIS 的 MOF 电子状态的见解，以及一个不仅在谷电子学中而且在电子学和自旋电子学中具有潜在应用的材料平台。

"点击查看英文标题和摘要"

Prediction of coexistence of anomalous valley Hall and quantum anomalous Hall effects in breathing kagome-honeycomb lattices

To explore the behaviors of valley degrees of freedom, we built a breathing kagome-honeycomb (BKH) lattice composed of a breathing kagome sublattice (BKL) and a breathing honeycomb sublattice (BHL). Many metal-organic frameworks (MOFs) without space-inversion symmetry (SIS) can be modeled as BKH lattices. The electronic states and the evolution of Dirac cones of the constructed BKH lattice under magnetic exchange and spin-orbit coupling interactions were investigated based on a tight-binding model and first-principles calculations. Coexistence states of anomalous valley Hall (AVH) and quantum anomalous Hall (QAH) effects, namely, the multiple Hall effects, were achieved in the BKH lattice with

p_{z}

orbitals located at the BKL and

p_{x}

p_{y}

(and also

d_{x y}

d_{x^{2} - y^{2}}

) orbitals located at the BHL. The properties of the coexisting state, including the valley polarized status (at

K

K^{'}

) and the chirality of the QAH effect, were determined by the overlapping styles of the bands from the two sublattices. An MOF of

C_{6} N_{3} H_{3} Au

with a BKH lattice is proposed. Given the coexistence of the AVH and QAH effects in this built MOF, the metallic edge state protected by the topology of the MOF is 100% valley polarized, different from the ordinary QAH effect. Our results provide insights into the electronic states of the MOFs without SIS and a material platform with potential applications in not only valleytronics but also electronics and spintronics.

更新日期：2021-12-13

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