Magnetic proximity effect on the spin-valley coupling in two-dimensional Cr2Ge2Te6/2H-TMD van der Waals heterostructures

Abstract

Two-dimensional (2D) transition metal dichalcogenides with 2H-phases, as a unique platform of valleytronics, display valley polarization and the well-known anomalous valley Hall effect when stacking with 2D magnetic substrates. In this study, we employ first-principles calculations to investigate the magnetic states, band structures, and magnetic proximity-dependent valley properties of 2D van der Waals heterostructures Cr2Ge2Te6/2H-MX2 (M = Mo, W, and X = S, Se, Te). Our findings reveal that the heterostructures possess stacking-dependent spontaneous valley polarization as well as pristine perpendicular magnetic anisotropy. Additionally, the Berry curvature and circular polarization demonstrate the presence of spin–momentum coupling characteristics, while the calculated non-zero Hall voltage indicates that the anomalous valley Hall effect can be achieved in valley-polarized systems. Furthermore, due to the strain effect and the electronic polarization at the interface, Cr2Ge2Te6/2H-MX2 heterostructures undergo the transition from semiconductors to semimetals upon substitution of early chalcogen elements. These calculations provide valuable insights for practical applications of valleytronics in 2D van der Waals heterostructure systems.