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Quadrupole topological insulators in Ta2M3Te5 (M = Ni, Pd) monolayers
npj Quantum Materials ( IF 5.4 ) Pub Date : 2022-09-03 , DOI: 10.1038/s41535-022-00498-8
Zhaopeng Guo , Junze Deng , Yue Xie , Zhijun Wang

Higher-order topological insulators have been introduced in the precursory Benalcazar-Bernevig-Hughes quadrupole model, but no electronic compound has been proposed to be a quadrupole topological insulator (QTI) yet. In this work, we predict that Ta2M3Te5 (M = Pd, Ni) monolayers can be 2D QTIs with second-order topology due to the double-band inversion. A time-reversal-invariant system with two mirror reflections (Mx and My) can be classified by Stiefel-Whitney numbers (w1, w2) due to the combined symmetry TC2z. Using the Wilson loop method, we compute w1 = 0 and w2 = 1 for Ta2Ni3Te5, indicating a QTI with qxy = e/2. Thus, gapped edge states and localized corner states are obtained. By analyzing atomic band representations, we demonstrate that its unconventional nature with an essential band representation at an empty site, i.e., Ag@4e, is due to the remarkable double-band inversion on Y–Γ. Then, we construct an eight-band quadrupole model with Mx and My successfully for electronic materials. These transition-metal compounds of A2M1,3X5 (A = Ta, Nb; M = Pd, Ni; X = Se, Te) family provide a good platform for realizing the QTI and exploring the interplay between topology and interactions.



中文翻译:

Ta2M3Te5 (M = Ni, Pd) 单层中的四极拓扑绝缘体

在早期的 Benalcazar-Bernevig-Hughes 四极模型中引入了高阶拓扑绝缘体,但尚未提出电子化合物作为四极拓扑绝缘体 (QTI)。在这项工作中,我们预测 Ta 2 M 3 Te 5 ( M  = Pd, Ni) 单分子层可以是由于双带反转而具有二阶拓扑的二维 QTI。由于组合对称性T C 2 z ,具有两个镜面反射(M x和 M y)的时间反演不变系统可以通过 Stiefel-Whitney 数 ( w 1 ,  w 2 ) 进行分类. 使用威尔逊环法,我们计算 Ta 2 Ni 3 Te 5的w 1  = 0 和w 2 = 1 ,表示 QTI q x y  =  e /2。因此,获得间隙边缘状态和局部角状态。通过分析原子能带表示,我们证明了它的非常规性质,在空位处具有基本能带表示,即A g @ 4 e,是由于 Y-Γ 上显着的双带反转。然后,我们构建了一个具有M xM y的八波段四极模型成功用于电子材料。这些A 2 M 1,3 X 5 ( A = Ta, Nb; M = Pd, Ni; X = Se, Te)族的过渡金属化合物为实现QTI和探索拓扑与相互作用之间的相互作用提供了良好的平台.

更新日期:2022-09-03
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