论文标题

在摩西$ _2 $/cri $ _3 $和WSE $ _2 $/cri $ _3 $ van der wa waals异质结构中,对山谷分裂的强烈操纵在扭曲和门控时分裂

Strong manipulation of the valley splitting upon twisting and gating in MoSe$_2$/CrI$_3$ and WSe$_2$/CrI$_3$ van der Waals heterostructures

论文作者

Zollner, Klaus, Junior, Paulo E. Faria, Fabian, Jaroslav

论文摘要

我们研究了单层过渡 - 金属二核苷元素(TMDCS)Mose $ _2 $和WSE $ _2 $在单层过渡金属二核苷中的接近交换耦合的扭曲角度和门依赖性,这是由于VDW耦合到Ferromagnetic cri $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $。使用Model Hamiltonian捕获相关的带边缘,该边缘以$ k/k^{\ prime} $ valleys的近端TMDC valleys进行了量化,以量化接近性诱导的交换。从0°扭转到30°后,我们发现TMDC价频段(VB)Edge Edge Exchange的过渡将从约$ -2 $划分为$ 2 $ MEV,而传导频段(CB)Edge Edge Exchange分开几乎保持不变,约为$ -3 $ -3 $ MEV。对于CRI $ _3 $的WSE $ _2 $(Mose $ _2 $)的VB,交换耦合在8°(16°)左右更改符号。我们发现,即使在VB的旋转分裂几乎为零的角度上,带边缘的孔的真实空间自旋极化曲线也非常均匀,交替的旋转和向下旋转轨道。此外,接近度诱导的交换耦合的巨大可调性由几个v/nm的横向电场提供。我们通过计算激子山谷分裂来提供\ textit {ab intio}的结果,以提供邻近交换的实验可验证的光学签名。具体而言,我们预测山谷分裂几乎随着扭角的函数而线性增加。此外,接近交换可以通过门控高度调整,从而使山谷分裂在WSE $ _2 $/cri $ _3 $中的0到12 meV范围内定制,这相当于外部磁场,最高约为60特斯拉。我们的结果突出了在实验几何形状中采用磁VDW异质结构时的扭角和门控的重要影响。

We investigate the twist-angle and gate dependence of the proximity-induced exchange coupling in the monolayer transition-metal dichalcogenides (TMDCs) MoSe$_2$ and WSe$_2$ due to the vdW coupling to the ferromagnetic semiconductor CrI$_3$, from first-principles calculations. A model Hamiltonian, that captures the relevant band edges at the $K/K^{\prime}$ valleys of the proximitized TMDCs, is employed to quantify the proximity-induced exchange. Upon twisting from 0° to 30°, we find a transition of the TMDC valence band (VB) edge exchange splitting from about $-2$ to $2$ meV, while the conduction band (CB) edge exchange splitting remains nearly unchanged at around $-3$ meV. For the VB of WSe$_2$ (MoSe$_2$) on CrI$_3$, the exchange coupling changes sign at around 8° (16°). We find that even at the angles with almost zero spin splittings of the VB, the real-space spin polarization profile of holes at the band edge is highly non-uniform, with alternating spin up and spin down orbitals. Furthermore, a giant tunability of the proximity-induced exchange coupling is provided by a transverse electric field of a few V/nm. We complement our \textit{ab initio} results by calculating the excitonic valley splitting to provide experimentally verifiable optical signatures of the proximity exchange. Specifically, we predict that the valley splitting increases almost linearly as a function of the twist angle. Furthermore, the proximity exchange is highly tunable by gating, allowing to tailor the valley splitting in the range of 0 to 12 meV in WSe$_2$/CrI$_3$, which is equivalent to external magnetic fields of up to about 60 Tesla. Our results highlight the important impact of the twist angle and gating when employing magnetic vdW heterostructures in experimental geometries.

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