Two-dimensional arsenene oxide: A realistic large-gap quantum spin Hall insulator
Two-dimensional arsenene oxide: A realistic large-gap quantum spin Hall insulator
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DOI：
10.1063/1.4983781
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发表时间：
2017-05
影响因子：
4
通讯作者：
Ya-Ping Wang;Wei-xiao Ji;Chang-wen Zhang;Ping Li;Shu-feng Zhang;Pei-ji Wang;Sheng-shi Li;Shishen Yan-Shi
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文献类型：
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作者：
Ya-Ping Wang;Wei-xiao Ji;Chang-wen Zhang;Ping Li;Shu-feng Zhang;Pei-ji Wang;Sheng-shi Li;Shishen Yan-Shi
寻找能够实现室温量子自旋霍尔效应的二维（2D）逼真材料目前是一个不断发展的领域。在这里，通过从头算，我们确定了氧化亚砷（AsO）是一个很好的候选者，它具有很高的稳定性、灵活性和可调的自旋轨道耦合间隙。与已知的原始或功能化砷相比，AsO的最大非平凡带隙达到89 meV，在双轴应变下可以进一步增强到130 meV。通过将二维AsO夹在氮化硼片之间，我们提出了一个量子阱，其中AsO的能带拓扑具有相当大的带隙。考虑到具有完全氧化表面的AsO具有抗表面氧化和降解的天然稳定性，该功能为设计在室温下工作的拓扑量子器件提供了可行的策略。
Searching for two-dimensional (2D) realistic materials that are able to realize room-temperature quantum spin Hall effects is currently a growing field. Here, through ab initio calculations, we identify arsenene oxide, AsO, as an excellent candidate, which demonstrates high stability, flexibility, and tunable spin-orbit coupling gaps. In contrast to known pristine or functionalized arsenene, the maximum nontrivial bandgap of AsO reaches 89 meV and can be further enhanced to 130 meV under biaxial strain. By sandwiching 2D AsO between boron nitride sheets, we propose a quantum well in which the band topology of AsO is preserved with a sizeable bandgap. Considering that AsO having fully oxidized surfaces are naturally stable against surface oxidization and degradation, this functionality provides a viable strategy for designing topological quantum devices operating at room temperature.