Spin-valley coupling and valley splitting in the MoSi2N4/CrCl3 van der Waals heterostructure

The newly two-dimensional layered materials MA(2)Z(4) (M = Ti/Cr/Mo, A = Si/Ge, Z=N/P/As) possess excellent stability, strong valley-dependent properties, and novel electronic structures. Motivated by recent experimental advances, we have constructed a van der Waals heterostructure consisting of MoSi2N4 and ferromagnetic CrCl3 monolayer and performed first principles calculations to investigate the spin-valley coupling and valley splitting properties. The MoSi2N4/CrCl3 heterostructure is thermally stable at room temperature. Our calculations have shown an enhancement of both valley splitting and valley-contrasting transport properties due to the magnetic proximity effect. Most importantly, the valley-related properties of the MoSi2N4 monolayer are predicated to be rather robust resulting from the protection of the outermost N-Si sublayers. These findings could be helpful to the understanding of the ferromagnetic substrate effect on the valley-dependent properties of MA(2)Z(4)-based heterostructures.

Automated summary

The study investigated the impact of MoSi2N4/CrCl3 heterostructure on valley-dependent properties, showing that the magnetic proximity effect can enhance valley splitting and valley-contrasting transport properties. The valley-dependent properties of MoSi2N4 monolayer are predicted to be robust, protected by the outermost N-Si sublayers.