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arXiv 1503.08951cond-mat.mtrl-sci
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具有屈曲正方晶格的室温量子自旋霍尔绝缘体

Room Temperature Quantum Spin Hall Insulators with a Buckled Square Lattice

Wei Luo, Hongjun Xiang

AI总结:

本文通过全局结构优化预测了BiF体系中具有屈曲正方晶格的三层准二维结构,其带隙达0.69 eV,可实现室温量子自旋霍尔效应,并提出了新的紧束缚模型解释其低能物理。

摘要:

二维(2D)拓扑绝缘体(TIs),也称为量子自旋霍尔(QSH)绝缘体,是相干自旋输运相关应用的优秀候选材料,因为二维拓扑绝缘体的边缘态对非磁性杂质具有鲁棒性,这是由于唯一可用的背散射通道是被禁止的。目前,大多数已知的二维拓扑绝缘体基于六方(特别是蜂窝)晶格。在此,我们提出在屈曲正方晶格中存在量子自旋霍尔效应(QSHE)。通过进行全局结构优化,我们预测了一种新的三层准二维(Q2D)结构,该结构在BiF体系中厚度小于6.0 Å的所有结构中具有最低能量。它被鉴定为具有大带隙(0.69 eV)的准二维拓扑绝缘体。准二维BiF体系在费米能级附近的电子态主要由中间Bi正方晶格贡献,该Bi正方晶格被两个惰性BiF2层夹在中间。这是有益的,因为衬底与准二维材料之间的相互作用可能不会改变体系的拓扑性质,正如我们在NaF衬底的情形中所证明的那样。最后,我们提出了一个新的紧束缚模型,用于具有屈曲正方晶格的双轨道体系,以解释准二维BiF材料的低能物理。我们的研究不仅为现实的室温应用预测了一种量子自旋霍尔绝缘体,而且为工程化拓扑态(如量子反常霍尔效应)提供了一个新的晶格体系。

英文摘要:

Two-dimensional (2D) topological insulators (TIs), also known as quantum spin Hall (QSH) insulators, are excellent candidates for coherent spin transport related applications because the edge states of 2D TIs are robust against nonmagnetic impurities since the only available backscattering channel is forbidden. Currently, most known 2D TIs are based on a hexagonal (specifically, honeycomb) lattice. Here, we propose that there exists the quantum spin Hall effect (QSHE) in a buckled square lattice. Through performing global structure optimization, we predict a new three-layer quasi-2D (Q2D) structure which has the lowest energy among all structures with the thickness less than 6.0 Å for the BiF system. It is identified to be a Q2D TI with a large band gap (0.69 eV). The electronic states of the Q2D BiF system near the Fermi level are mainly contributed by the middle Bi square lattice, which are sandwiched by two inert BiF2 layers. This is beneficial since the interaction between a substrate and the Q2D material may not change the topological properties of the system, as we demonstrate in the case of the NaF substrate. Finally, we come up with a new tight-binding model for a two-orbital system with the buckled square lattice to explain the low-energy physics of the Q2D BiF material. Our study not only predicts a QSH insulator for realistic room temperature applications, but also provides a new lattice system for engineering topological states such as quantum anomalous Hall effect.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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