单层过渡金属双硫族化合物1 T相中线缺陷引起的自旋劈裂和持续自旋织构
Spin splitting with persistent spin textures induced by the line defect in 1T-phase of monolayer transition metal dichalcogenides
摘要：
过渡金属双硫族化合物（TMDC）的自旋轨道耦合作用导致的自旋劈裂现象，目前仅在1H相结构中得到了广泛的研究，而在1 T相结构中，由于晶体的中心对称性，对这一现象的研究并不深入。基于第一性原理计算，我们发现在ML 1 T-TMDC中引入线缺陷可以引起显著的自旋分裂。以ML PtSe 2为代表，我们考虑了最稳定的线缺陷形式，即Se-空位线缺陷（Se-VLD）。我们发现，大的自旋分裂中观察到的缺陷态的Se-VLD，表现出高度单向的自旋配置在动量空间。这种特殊的自旋结构可能产生所谓的持久自旋织构（PST），这是一种特殊的自旋结构，可以防止自旋退相干并支持非常长的自旋寿命。此外，通过使用k.p微扰理论补充对称性分析，我们澄清了自旋分裂的出现维持PST在缺陷态是起源于反转对称性破缺以及一维性质的Se-VLD工程ML PtSe 2。我们的研究结果为在ML 1 T-TMDC中诱导显著的自旋分裂铺平了可能的道路，这对于自旋电子器件的设计具有重要意义。
英文摘要：
The spin splitting driven by spin-orbit coupling in monolayer (ML) transition metal dichalcogenides (TMDCs) family has been widely studied only for the 1H-phase structure, while it is not profound for the 1T-phase structure due to the centrosymmetric of the crystal. Based on first-principles calculations, we show that significant spin splitting can be induced in the ML 1T-TMDCs by introducing the line defect. Taking the ML PtSe2 as a representative example, we considered the most stable form of the line defects, namely Se-vacancy line defect (Se-VLD). We find that large spin splitting is observed in the defect states of the Se-VLD, exhibiting a highly unidirectional spin configuration in the momentum space. This peculiar spin configuration may yield the so-called persistent spin textures (PST), a specific spin structure resulting in protection against spin-decoherence and supporting an extraordinarily long spin lifetime. Moreover, by using k.p perturbation theory supplemented with symmetry analysis, we clarified that the emerging of the spin splitting maintaining the PST in the defect states is originated from the inversion symmetry breaking together with one-dimensional nature of the Se-VLD engineered ML PtSe2. Our findings pave a possible way to induce the significant spin splitting in the ML 1T-TMDCs, which could be highly important for designing spintronic devices.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
