Tunable valley polarization in Janus WSSe by magnetic proximity coupling to a CrI3 layer

We investigate the electronic properties and valley physics of Janus monolayer WSSe on a CrI3 substrate layer based on first-principles calculations. It is shown that the K and K′ valley degeneracy can be lifted which leads to valley polarization (VP) in the WSSe due to the magnetic proximity coupli...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2021-09, Vol.23 (33), p.18182-18188
Main Authors: She, X C, Zhang, R L, Jin-Zhu, Zhao, Qi, D X, Zou, Y, Ru-Wen, Peng
Format: Article
Language:English
Subjects:
Coupling
First principles
Heterostructures
Interlayers
Polarization
Substrates
Valleys
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Summary:We investigate the electronic properties and valley physics of Janus monolayer WSSe on a CrI3 substrate layer based on first-principles calculations. It is shown that the K and K′ valley degeneracy can be lifted which leads to valley polarization (VP) in the WSSe due to the magnetic proximity coupling to a magnetic substrate. The magnitude of VP is highly sensitive to the interfacial electronic properties and can be tuned by varying the stacking configurations of the heterostructure. Interestingly, the direction of VP can be altered by manipulating the layer alignment without reversing the magnetism orientation of the magnetic substrate CrI3. We suggest that the hybridization between the bands of WSSe and the substrate plays an important role. Meanwhile, the charge distributions have been mapped out to uncover the microscopic origin of the direction variable VP. In addition, large VP can be achieved by adjusting the interlayer spacing. Our investigations may have potential applications in the design of valleytronic devices.
ISSN:1463-9076
1463-9084
DOI:10.1039/d1cp02577e