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Twist-induced interlayer charge buildup in a WS2 bilayer revealed by electron Compton scattering and density functional theory

Talmantaite, A.; Xie, Y.; Cohen, A.; Mohapatra, P.K.; Ismach, A.; Mizoguchi, T.; Clark, S.J.; Mendis, B.G.

Twist-induced interlayer charge buildup in a WS2 bilayer revealed by electron Compton scattering and density functional theory Thumbnail


Authors

A. Talmantaite

Y. Xie

A. Cohen

P.K. Mohapatra

A. Ismach

T. Mizoguchi



Abstract

Exotic properties emerge from the electronic structure of few-layer transition-metal dichalcogenides (TMDs), such as direct band gaps in monolayers and moiré excitons in twisted bilayers, which are exploited in modern optoelectronic devices and twistronics. Here, Compton scattering in a transmission electron microscope (TEM) is used to probe the nature of the interlayer electronic coupling in the TMD material W S 2 . The high spatial resolution and strong scattering in the TEM enables a complete analysis of individual W S 2 domains, including their crystal structure. Compton measurements show that the electrons in an 18 ∘ twisted bilayer are more localized than in a monolayer. Density functional theory simulations reveal this is caused by a twist-induced charge buildup in the interlayer region, directly shielding the energetically unfavorable overlapping tungsten atoms. This unexpected result uncovers the precise role of twist angle on interlayer coupling, and therefore the physical properties that depend on it.

Citation

Talmantaite, A., Xie, Y., Cohen, A., Mohapatra, P., Ismach, A., Mizoguchi, T., …Mendis, B. (2023). Twist-induced interlayer charge buildup in a WS2 bilayer revealed by electron Compton scattering and density functional theory. Physical Review B, 107(23), Article 235424. https://doi.org/10.1103/physrevb.107.235424

Journal Article Type Article
Acceptance Date Jun 13, 2023
Online Publication Date Jun 27, 2023
Publication Date Jun 15, 2023
Deposit Date Jul 3, 2023
Publicly Available Date Jul 3, 2023
Journal Physical review B: Condensed matter and materials physics
Print ISSN 2469-9950
Electronic ISSN 2469-9969
Publisher American Physical Society
Peer Reviewed Peer Reviewed
Volume 107
Issue 23
Article Number 235424
DOI https://doi.org/10.1103/physrevb.107.235424

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Copyright Statement
Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.





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