Converting a Monolayered NbSe2 into an Ising Superconductor with Nontrivial Band Topology via Physical or Chemical Pressuring,Nano Letters

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Converting a Monolayered NbSe2 into an Ising Superconductor with Nontrivial Band Topology via Physical or Chemical Pressuring
Nano Letters ( IF 9.6 ) Pub Date : 2022-08-05 , DOI: 10.1021/acs.nanolett.2c02422
Leiqiang Li ₁ , Shunhong Zhang ₁ , Guojing Hu ₂ , Linhai Guo ₁ , Tong Wei ₁ , Wei Qin ₃ , Bin Xiang _{2,

4} , Changgan Zeng _{1,

4} , Zhenyu Zhang _{1,

4} , Ping Cui _{1,

4}

Affiliation

Two-dimensional transition metal dichalcogenides possessing superconductivity and strong spin–orbit coupling exhibit high in-plane upper critical fields due to Ising pairing. Yet to date, whether such systems can become topological Ising superconductors remains to be materialized. Here we show that monolayered NbSe₂ can be converted into Ising superconductors with nontrivial band topology via physical or chemical pressuring. Using first-principles calculations, we first demonstrate that a hydrostatic pressure higher than 2.5 GPa can induce a p–d band inversion, rendering nontrivial band topology to NbSe₂. We then illustrate that Te-doping can function as chemical pressuring in inducing nontrivial topology in NbSe_2–xTe_x with x ≥ 0.8, due to a larger atomic radius and stronger spin–orbit coupling of Te. We also evaluate the upper critical fields within both approaches, confirming the enhanced Ising superconductivity nature, as experimentally observed. Our findings may prove to be instrumental in material realization of topological Ising superconductivity in two-dimensional systems.

中文翻译：

通过物理或化学加压将单层 NbSe2 转化为具有非平凡能带拓扑的伊辛超导体

由于伊辛配对，具有超导性和强自旋轨道耦合的二维过渡金属二硫化物表现出高的面内上临界场。然而迄今为止，此类系统是否可以成为拓扑伊辛超导体仍有待实现。在这里，我们展示了单层 NbSe ₂可以通过物理或化学加压转化为具有非平凡能带拓扑的伊辛超导体。使用第一性原理计算，我们首先证明了高于 2.5 GPa 的静水压力可以引起p - d带反转，从而使 NbSe ₂具有非平凡的带拓扑结构。然后，我们说明 Te 掺杂可以作为化学压力在 NbSe _{2中诱导非平凡拓扑 -x} Te_x与x ≥ 0.8，由于更大的原子半径和更强的 Te 的自旋轨道耦合。我们还评估了两种方法中的上临界场，证实了实验观察到的增强的伊辛超导性质。我们的研究结果可能被证明有助于二维系统中拓扑伊辛超导的材料实现。

更新日期：2022-08-05

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