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Weak topological insulators induced by the interlayer coupling: A first-principles study of stacked Bi_2TeI

机译:层间耦合引起的弱拓扑绝缘子:Bi_2TeI堆积的第一性原理研究

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摘要

Based on first-principles calculations, we predict Bi_2TeI, a stoichiometric compound that is synthesized, to be a weak topological insulator (TI) in layered subvalent bismuth telluroiodides. Within a bulk energy gap of 80 meV, two Dirac-cone-like topological surface states exist on the side surface perpendicular to the BiTeI Iayer plane. These Dirac cones are relatively isotropic due to the strong interlayer coupling, distinguished from those of previously reported weak TI candidates. Moreover, with chemically stable cladding layers, the BiTeI-Bi2-BiTeI sandwiched structure is a robust quantum spin Hall system, which can be obtained by simply cleaving the bulk Bi_2TeI.
机译:基于第一性原理计算,我们预测Bi_2TeI(一种合成的化学计量化合物)在层状亚价碲化铋中是弱拓扑绝缘体(TI)。在80 meV的整体能隙内,在垂直于BiTeI Iayer平面的侧面上存在两个类似Dirac-cone的拓扑表面态。这些Dirac锥体由于层间耦合强而相对各向同性,与先前报道的弱TI候选者不同。此外,BiTeI-Bi2-BiTeI夹层结构具有化学稳定的包覆层,是一种坚固的量子自旋霍尔系统,可以通过简单裂解本体Bi_2TeI来获得。

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  • 来源
    《Physical review》 |2014年第4期|041409.1-041409.5|共5页
  • 作者单位

    Department of Physics and State Key Laboratory of Low-Dimensional Quantum Physics, Tsinghua University, Beijing 100084, People's Republic of China;

    Max Planck Institute for Chemical Physics of Solids, D-01187 Dresden, Germany,Max Planck Institute for the Physics of Complex Systems, D-01187 Dresden, Germany;

    Department of Physics and State Key Laboratory of Low-Dimensional Quantum Physics, Tsinghua University, Beijing 100084, People's Republic of China;

    Max Planck Institute for Chemical Physics of Solids, D-01187 Dresden, Germany;

    Max Planck Institute for Chemical Physics of Solids, D-01187 Dresden, Germany;

    Department of Physics and State Key Laboratory of Low-Dimensional Quantum Physics, Tsinghua University, Beijing 100084, People's Republic of China,Institute for Advanced Study, Tsinghua University, Beijing 100084, China;

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  • 正文语种 eng
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  • 关键词

    density functional theory, local density approximation, gradient and other corrections; electron density of states and band structure of crystalline solids;

    机译:密度泛函理论;局部密度近似;梯度和其他校正;态固体的电子态密度和能带结构;

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