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Two-dimensional topological insulators with tunable band gaps: Single-layer HgTe and HgSe

机译:带隙可调的二维拓扑绝缘体:单层HgTe和HgSe

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摘要

Two-dimensional (2D) topological insulators (TIs) with large band gaps are of great importance for the future applications of quantum spin Hall (QSH) effect. Employing ab initio electronic calculations we propose a novel type of 2D topological insulators, the monolayer (ML) low-buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gap. We demonstrate that LB HgTe (HgSe) monolayers undergo a trivial insulator to topological insulator transition under in-plane tensile strain of 2.6% (3.1%) due to the combination of the strain and the spin orbital coupling (SOC) effects. Furthermore, the band gaps can be tuned up to large values (0.2 eV for HgTe and 0.05 eV for HgSe) by tensile strain, which far exceed those of current experimentally realized 2D quantum spin Hall insulators. Our results suggest a new type of material suitable for practical applications of 2D TI at room-temperature.
机译:具有较大带隙的二维(2D)拓扑绝缘体(TI)对于量子自旋霍尔(QSH)效应的未来应用非常重要。通过从头开始进行电子计算,我们提出了一种新型的2D拓扑绝缘体,即带隙可调的单层(ML)低屈曲(LB)碲化汞(HgTe)和硒化汞(HgSe)。我们证明,LB HgTe(HgSe)单层在2.6%(3.1%)的平面内拉伸应变下由于应变和自旋轨道耦合(SOC)效应的结合而经历了琐碎的绝缘体向拓扑绝缘体的转变。此外,带隙可以通过拉伸应变调节到较大的值(HgTe为0.2µeV,HgSe为0.05µeV),远远超过了目前实验实现的2D量子自旋霍尔绝缘体。我们的结果表明,一种新型材料适合于室温下2D TI的实际应用。

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