Proximity spin interactions in 2D magnetic vdW (hetero)multilayers

邻近自旋相互作用是2D自旋电子学的核心。实际上，vdW异质结构允许设计和操纵SOC和交换耦合，这是自旋电子学长期追求的目标，用常规块体材料或甚至用诸如量子威尔斯和量子点的半导体异质结构不可能实现。门控和掺杂、应变和压力、扭曲和堆叠都允许在期望的材料结构中定制自旋现象。 最近在探索货车德瓦尔斯异质结构中的邻近自旋相互作用方面取得了令人印象深刻的实验进展，通过自旋输运，电荷-自旋转换，介观输运以及对扭曲和非扭曲石墨烯多层膜中强关联相的影响，我们提出对包含石墨烯的大规模超晶胞中的邻近自旋相互作用进行系统和全面的第一性原理计算和唯象建模，过渡金属二硫属化物和磁性单层，以及包括六边形和矩形晶格的混合晶格结构，以及邻近交换在货车德瓦尔异质结构中的磁化动力学的影响。

Proximity spin interactions are central to 2D spintronics. Indeed, vdW heterostructures allow to engineer and manipulate SOC and exchange coupling, which is a long sought goal of spintronics, impossible to achieve with conventional bulk materials or even with semiconductor heterostructures such as quantum wells and quantum dots. Gating and doping, strain and pressure, twisting, and stacking, all allow to tailor the spin phenomena in a desired material structure. Motivated by the impressive recent experimental progress in exploring proximity spin interactions in van der Waals heterostructures by spin transport, charge-spin conversion, mesoscopic transport, and effects on strongly correlated phases in twisted and untwisted graphene multilayers, we propose to perform systematic and comprehensive first-principles calculations and phenomenological modeling of proximity spin interactions in large-scale supercells comprising graphene, transition-metal dichalcogenides and magnetic monolayers, as well as mixed-lattice structures comprising hexagonal and rectangular lattices, and effects of the proximity exchange in magnetization dynamics in van der Waal heterostructures.