Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology, School of Science, Tianjin University, Tianjin, 300354, China.
School of Electrical and Electronic Engineering, Tianjin University of Technology, Tianjin, 300384, China.
Sci Rep. 2017 Aug 25;7(1):9504. doi: 10.1038/s41598-017-10145-z.
We explore the electronic structure of two-dimensional (2D) MnPSe/MoS van der Waals (vdW) heterostructures based on density functional theory. A novel spin splitting at the valance band maximum of MnPSe appears in some specific stacking models due to Mn d orbital hybridization. The simultaneous spin and valley splitting can be achieved by interfacial coupling, which is attractive for manipulation of the valley and spin degrees of freedom. More importantly, due to the antiferromagnetic ordering of manganese, the opposite spin moments at K and K' valleys can be observed by transforming configurations, which realizes the tunable spin splitting states. Our theoretical work opens up the opportunities of valley and spin related applications of MnPSe/MoS vdW heterostructures and offers a practical avenue for exploring novel devices based on the spin and valley degrees of freedom.
我们基于密度泛函理论研究了二维 (2D) MnPSe/MoS 范德华 (vdW) 异质结构的电子结构。由于 Mn d 轨道杂化，在某些特定的堆叠模型中，MnPSe 的价带顶出现了新的自旋劈裂。通过界面耦合可以实现自旋和谷劈裂的同时发生，这对于控制谷和自旋自由度很有吸引力。更重要的是，由于锰的反铁磁有序，可以通过改变构型观察到 K 和 K' 谷的相反自旋磁矩，从而实现可调谐的自旋劈裂态。我们的理论工作为 MnPSe/MoS vdW 异质结构的谷和自旋相关应用开辟了机会，并为探索基于自旋和谷自由度的新型器件提供了实用途径。
