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TlTiX(X = Si,Ge)单层中磁化方向控制的拓扑能带结构

Magnetization direction-controlled topological band structure in TlTiX (X = Si, Ge) monolayers.

作者信息

Huang Keer, Li Lei, Zhao Wu, Wang Xuewen

机构信息

Frontiers Science Center for Flexible Electronics (FSCFE) & Institute of Flexible Electronics (IFE), Northwestern Polytechnical University, Xi'an 710072, People's Republic of China.

MIIT Key Laboratory of Flexible Electronics (KLoFE), Northwestern Polytechnical University, Xi'an 710072, People's Republic of China.

出版信息

J Phys Condens Matter. 2024 Mar 1;36(22). doi: 10.1088/1361-648X/ad2bda.

DOI:10.1088/1361-648X/ad2bda
PMID:38382124
Abstract

The quantum anomalous Hall (QAH) insulator is a vital material for the investigation of emerging topological quantum effects, but its extremely low working temperature limits experiments. Apart from the temperature challenge, effective regulation of the topological state of QAH insulators is another crucial concern. Here, by first-principles calculations, we find a family of stable two-dimensional materials TlTiX (X = Si, Ge) are large-gap QAH insulators. Their extremely robust ferromagnetic (FM) ground states are determined by both the direct- and super-exchange FM coupling. In the absence of spin-orbit coupling (SOC), there exist a spin-polarized crossing point located at eachand' points, respectively. The SOC effect results in the spontaneous breaking ofsymmetry and introduces a mass term, giving rise to a QAH state with sizable band gap. The tiny magnetocrystalline anisotropic energy (MAE) implies that an external magnetic field can be easily used to align magnetization deviating fromdirection to the-plane, thereby leading to a transformation of the electronic state from the QAH state to the Weyl half semimetals state, which indicate monolayers TlTiX (X = Si, Ge) exhibit a giant magneto topological band effect. Finally, we examined the impact of stress on the band gap and MAE, which underlies the reasons for the giant magneto topological band effect attributed to the crystal field. These findings present novel prospects for the realization of large-gap QAH states with the characteristic of easily modifiable topological states.

摘要

量子反常霍尔(QAH)绝缘体是研究新兴拓扑量子效应的重要材料,但其极低的工作温度限制了实验。除了温度挑战外,有效调控QAH绝缘体的拓扑状态是另一个关键问题。在此,通过第一性原理计算,我们发现一族稳定的二维材料TlTiX(X = Si、Ge)是大带隙QAH绝缘体。它们极其稳健的铁磁(FM)基态由直接和超交换FM耦合共同决定。在没有自旋轨道耦合(SOC)的情况下,分别在每个“and”点处存在一个自旋极化交叉点。SOC效应导致对称性自发破缺并引入一个质量项,从而产生具有可观带隙的QAH态。微小的磁晶各向异性能(MAE)意味着可以轻松利用外部磁场将偏离方向的磁化排列到平面内,进而导致电子态从QAH态转变为外尔半金属态,这表明单层TlTiX(X = Si、Ge)表现出巨大的磁拓扑能带效应。最后,我们研究了应力对带隙和MAE的影响,这为归因于晶体场的巨大磁拓扑能带效应提供了依据。这些发现为实现具有易于调控拓扑状态特性的大带隙QAH态展现了新的前景。

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