The magnetic proximity effect at the MoS₂/CrI₃interface

Area of Science:

• Condensed Matter Physics
• Materials Science
• Quantum Mechanics

Background:

• Two-dimensional magnetic materials offer a route to break valley degeneracy in transition-metal dichalcogenides via the magnetic proximity effect.
• Understanding interfacial effects in van der Waals heterostructures is crucial for novel electronic and spintronic applications.

Purpose of the Study:

• To investigate the band structure of MoS₂/CrI₃ van der Waals heterostructures.
• To explore the manipulation of valley splitting using vertical electric fields.
• To analyze the role of interlayer orbital hybridization in modulating magnetic proximity effects.

Main Methods:

• First-principles calculations were employed to simulate the electronic band structure.
• The MoS₂/CrI₃ van der Waals heterostructure was modeled.
• The impact of varying vertical electric fields and interlayer distances was systematically studied.

Main Results:

• A substantial valley splitting of approximately 19.60 meV was achieved with an electric field of 0.115 V/Å, equivalent to 89.0 T.
• Electric fields induced discontinuous changes in valley splitting due to band crossings and interlayer orbital hybridization.
• Interlayer distance significantly influences the electric field's modulation of valley splitting.

Conclusions:

• Vertical electric fields can effectively control and induce large valley splitting in MoS₂/CrI₃ heterostructures.
• Interlayer orbital hybridization plays a key role in the observed electric field-driven phenomena.
• This research enhances the understanding of interfacial magnetic proximity effects in van der Waals heterostructures.