功能化的碲烯;一种候选的大间隙二维拓扑绝缘体
Functionalized Tellurene; a candidate large-gap 2D Topological Insulator
摘要：
IV族和V族元素氙的发现在其蜂窝晶格结构（HLS）中天然地表现出拓扑非平凡特征，这导致了在VI族元素单层中实现类似行为的广泛努力。虽然，它是理论上得出的结论，第六族元素单层不能存在的HLS，但最近的实验证据表明，否则。在这封信中，我们报告说，HLS的第VI族元素单层（如，碲）可以实现动态稳定时，与氧官能化。功能化导致，特殊的轨道过滤效应（OFE）和打破空间反演对称性，从而产生了非平凡的拓扑性质。该系统的奇异量子行为的特征在于，自旋-轨道耦合诱导的大间隙$\approx$ 0.36 eV与孤立的狄拉克锥沿边缘指示前景室温自旋输运应用。自旋霍尔电导率和Berry曲率的进一步研究揭示了高电导率相比，以前探索的Xene的。非平凡的拓扑性质被量化的$\mathbb{Z}_2$ invaraint为$ν=$ 1和陈数$\mathit{C} =$ 1。此外，出于实用的目的，我们报告说，\textit{h} BN/TeO/ \textit{h} BN量子阱可以应变工程实现相当大的非平凡的间隙（$\approx$ 0.11 eV）。我们最后得出结论，第VI族元素单层与氧的官能化产生，奇异的量子特性，这是强大的对表面氧化和降解，同时提供可行的电子自由度的自旋电子应用。
英文摘要：
The discovery of group IV and V elemental Xene's which exhibit topologically non-trivial characters natively in their honeycomb lattice structure (HLS) has led to extensive efforts in realising analogous behaviour in group VI elemental monolayers. Although; it was theoretically concluded that group VI elemental monolayers cannot exist as HLS but recent experimental evidence suggests otherwise. In this letter we report that, HLS of group VI elemental monolayer (such as, Tellurene) can be realised to be dynamically stable when functionzalised with Oxygen. The functionalization leads to, peculiar orbital filtering effects (OFE) and broken spatial inversion symmetry which gives rise to the non-trivial topological character. The exotic quantum behaviour of this system is characterized by, spin-orbit coupling induced large-gap $\approx$ 0.36 eV with isolated Dirac cone along the edges indicating perspective room temperature spin-transport applications. Further investigations of spin Hall conductivity and the Berry curvatures unravel high conductivity as compared to previously explored Xene's. The non-trivial topological character is quantified in terms of the $\mathbb{Z}_2$ invaraint as $ν=$ 1 and Chern number $\mathit{C} =$ 1. Also, for practical purposes, we report that, \textit{h}BN/TeO/\textit{h}BN quantum-wells can be strain engineered to realize a sizable non-trivial gap ($\approx$ 0.11 eV). We finally conclude that, functionalization of group VI elemental monolayer with Oxygen gives rise to, exotic quantum properties which are robust against surface oxidation and degradations while providing viable electronic degrees of freedom for spintronic applications.
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