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Novel electronic structures and magnetic properties in twisted two-dimensional graphene/Janus 2H–VSeTe heterostructures
Physica E: Low-dimensional Systems and Nanostructures ( IF 2.9 ) Pub Date : 2021-06-24 , DOI: 10.1016/j.physe.2021.114854
Shiming Yan , Shengmei Qi , Dunhui Wang , Wenbo Mi

Moiré patterns of two-dimensional (2D) van der Waals (vdW) heterostructures can induce novel electronic structures and physical properties. However, the effects of moiré pattern on magnetic properties of 2D materials are not clear yet. Herein, the electronic structures and magnetic properties of 2D graphene/Janus 2H–VSeTe (Gr/VSeTe) heterostructures with moiré patterns are investigated by density functional theory. It is found that twist angles (θ) can induce a band gap at Dirac cone of graphene. With further considering spin-orbit coupling and V magnetic moments of VSeTe monolayer along + z axis, valley polarization of graphene at K and K′ points appears and is found to be sensitive to the twist angle. Additionally, flat band occurs at θ = 5.2° and 10.9° due to the quasi-periodic potential induced by moiré patterns. A high spin polarization also appears in Gr/VSeTe heterostructures with certain twist angles of θ = 0°, 7.6°, 10.9° and 13.9°. Due to the changed occupation of interfacial Te-p orbitals, the magnetic anisotropy and Dzyaloshinskii-Moriya interaction of Gr/VSeTe heterostructures can be changed by twist angles. Therefore, twist angle provides a new degree of freedom for inducing the novel electronic structures and magnetic properties in the 2D magnetic vdW heterostructures.



中文翻译:

扭曲二维石墨烯/Janus 2H-VSeTe异质结构的新型电子结构和磁性

二维 (2D) 范德华 (vdW) 异质结构的莫尔图案可以诱导新的电子结构和物理特性。然而,莫尔图案对二维材料磁性能的影响尚不清楚。在此,通过密度泛函理论研究了具有莫尔图案的二维石墨烯/Janus 2H-VSeTe(Gr/VSeTe)异质结构的电子结构和磁性能。发现扭曲角 ( θ ) 可以在石墨烯的狄拉克锥上引起带隙。随着进一步考虑 VSeTe 单层沿 + z轴的自旋轨道耦合和 V 磁矩 ,石墨烯在 K 和 K' 点的谷极化出现并且被发现对扭曲角敏感。此外,平带出现在 由于莫尔图案引起的准周期势,θ = 5.2° 和 10.9°。高自旋极化也出现在 Gr/VSeTe 异质结构中,具有某些扭曲角θ  = 0°、7.6°、10.9° 和 13.9°。由于改变职业界面TE-的p轨道,磁各向异性和Gr / VSeTe异质结构Dzyaloshinskii-Moriya相互作用可通过扭转角被改变。因此,扭转角为在二维磁性 vdW 异质结构中诱导新的电子结构和磁性提供了新的自由度。

更新日期:2021-06-28
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