论文标题

单层过渡金属二甲化物的旋转轨道型铁磁金属:光谱功能的地图集,旋转纹理和旋转轨道和旋转轨道torques co/mose $ _2 $,co/wse $ _2 $和co/tase $ _2 $和co/tase $ _2 $杂质结构

Spin-orbit-proximitized ferromagnetic metal by monolayer transition metal dichalcogenide: Atlas of spectral functions, spin textures and spin-orbit torques in Co/MoSe$_2$, Co/WSe$_2$ and Co/TaSe$_2$ heterostructures

论文作者

Dolui, Kapildeb, Nikolic, Branislav K.

论文摘要

由超薄铁磁金属(FM)组成的双层异质结构和托管强旋轨道(SO)耦合的材料是So扭矩和旋转电荷转换在Spintronics中的非平衡效应的主要资源。我们展示了CO层的波函数和过渡金属二分法的单层(TMDS)的杂交 - 例如半导体的摩西$ _2 $和WSE $ _2 $或金属Tase $ _2 $ ----与CO型在距离内部的距离和距离的巨大距离相比,它可以与T型相比,它可以与TM的距离相比,该距离与TM的距离相比,该距离的距离或相比,该距离的距离与TM的距离相比,该距离与TM的相比,该距离的距离与TM的互动相比,该距离的距离可能会与TM的相比。 真空。这是由于近端引起的,因此在光谱函数中编码的CO频段和单层上的自旋纹理进行了分裂,我们使用非共线密度功能理论(NCDFT)与平衡绿色函数(GF)计算相结合。实际上,即使在TMD单层中的结构反转不对称,也会存在分裂,因此在NCDFT计算中人为地关闭了TMD单层中的耦合,但是将其切换为与接近性相关的效果,因此在CO层中耦合的效果大约五倍。通过如此良好的CO的单层注射自旋 - 非极化电荷电流会在它们上产生非平衡的自旋密度,因此其具有CO磁化的交叉产物确定了如此扭矩。通过第一原理量子传输方法计算的SO扭矩可以将NCDFT与非平衡GF计算相结合,可用作筛选参数,以识别材料及其在Spintronics中应用的最佳组合。特别是,我们将异质结构识别为两种单层CO/单层wse $ _2 $是最佳的。

The bilayer heterostructures composed of an ultrathin ferromagnetic metal (FM) and a material hosting strong spin-orbit (SO) coupling are principal resource for SO torque and spin-to-charge conversion nonequilibrium effects in spintronics. We demonstrate how hybridization of wavefunctions of Co layer and a monolayer of transition metal dichalcogenides (TMDs)---such as semiconducting MoSe$_2$ and WSe$_2$ or metallic TaSe$_2$---can lead to dramatic transmutation of electronic and spin structure of Co within some distance away from its interface with TMD, when compared to the bulk of Co or its surface in contact with vacuum. This is due to proximity induced SO splitting of Co bands encoded in the spectral functions and spin textures on its monolayers, which we obtain using noncollinear density functional theory (ncDFT) combined with equilibrium Green function (GF) calculations. In fact, SO splitting is present due to structural inversion asymmetry of the bilayer even if SO coupling within TMD monolayer is artificially switched off in ncDFT calculations, but switching it on makes the effects associated with proximity SO coupling within Co layer about five times larger. Injecting spin-unpolarized charge current through SO-proximitized monolayers of Co generates nonequilibrium spin density over them, so that its cross product with the magnetization of Co determines SO torque. The SO torque computed via first-principles quantum transport methodology, which combines ncDFT with nonequilibrium GF calculations, can be used as the screening parameter to identify optimal combination of materials and their interfaces for applications in spintronics. In particular, we identify heterostructure two-monolayer-Co/monolayer-WSe$_2$ as the most optimal.

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