Strain-driven band inversion and topological aspects in Antimonene.
Strain-driven band inversion and topological aspects in Antimonene.
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Antimonene 中应变驱动的能带反转和拓扑方面
DOI：
10.1038/srep16108
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发表时间：
2015-11-05
影响因子：
4.6
通讯作者：
Li L
中科院分区：
文献类型：
--
作者：
Zhao M;Zhang X;Li L
寻找具有大禁带宽度的二维拓扑绝缘体是实现室温量子自旋霍尔效应的关键。使用第一性原理计算，我们证明了最近提出的锑[Zhanget al.，Angew. Int. Ed.54，3112-3115（2015）]可以通过降低晶格的屈曲高度（这可以在拉伸应变下实现）来调整到2D TI。应变驱动的费米能级附近的带反转负责的量子相变。锑烯的屈曲配置使其能够承受高达18%的大拉伸应变，由此产生的体带隙可以高达270 meV。锑烯的可调谐体带隙使其成为在高温下实现量子自旋霍尔效应（QSH）的有希望的候选材料，这满足了未来低功耗电子器件的要求。
Searching for the two-dimensional (2D) topological insulators (TIs) with large bulk band gaps is the key to achieve room-temperature quantum spin Hall effect (QSHE). Using first-principles calculations, we demonstrated that the recently-proposed antimonene [Zhanget al.,Angew. Chem. Int. Ed.54, 3112–3115 (2015)] can be tuned to a 2D TI by reducing the buckling height of the lattice which can be realized under tensile strain. The strain-driven band inversion in the vicinity of the Fermi level is responsible for the quantum phase transition. The buckled configuration of antimonene enables it to endure large tensile strain up to 18% and the resulted bulk band gap can be as large as 270 meV. The tunable bulk band gap makes antimonene a promising candidate material for achieving quantum spin Hall effect (QSH) at high temperatures which meets the requirement of future electronic devices with low power consumption.