Spatial variation of geometry, binding, and electronic properties in the moiré superstructure of MoS2 on Au(111)

Silva, Caio C; Dombrowski, Daniela; Atodiresei, Nicolae; Jolie, Wouter; Farwick zum Hagen, Ferdinand; Cai, Jiaqi; Ryan, Paul T P; Thakur, Pardeep K; Caciuc, Vasile; Blügel, Stefan; Duncan, David A; Michely, Thomas; Lee, Tien-Lin; Busse, Carsten

Abstract

The lattice mismatch between a monolayer of MoS2 and its Au(111) substrate induces a moiré superstructure. The local variation of the registry between sulfur and gold atoms at the interface leads to a periodic pattern of strongly and weakly interacting regions. In consequence, also the electronic bands show a spatial variation. We use scanning tunneling microscopy and spectroscopy (STM/STS), x-ray photoelectron spectroscopy (XPS) and x-ray standing wave (XSW) for a determination of the geometric and electronic structure. The experimental results are corroborated by density functional theory. We obtain the geometric structure of the supercell with high precision, identify the fraction of interfacial atoms that are strongly interacting with the substrate, and analyze the variation of the electronic structure in dependence of the location within the moiré unit cell and the nature of the band.

Citation

Silva, C. C., Dombrowski, D., Atodiresei, N., Jolie, W., Farwick zum Hagen, F., Cai, J., Ryan, P. T. P., Thakur, P. K., Caciuc, V., Blügel, S., Duncan, D. A., Michely, T., Lee, T.-L., & Busse, C. (2022). Spatial variation of geometry, binding, and electronic properties in the moiré superstructure of MoS2 on Au(111). 2D Materials, 9(2), Article 025003. https://doi.org/10.1088/2053-1583/ac4958

• Journal Article Type: Article
• Acceptance Date: Jan 7, 2022
• Online Publication Date: Jan 26, 2022
• Publication Date: 2022-04
• Deposit Date: Feb 19, 2025
• Publicly Available Date: Mar 3, 2025
• Journal: 2D Materials
• Electronic ISSN: 2053-1583
• Publisher: IOP Publishing
• Peer Reviewed: Peer Reviewed
• Volume: 9
• Issue: 2
• Article Number: 025003
• DOI: https://doi.org/10.1088/2053-1583/ac4958
• Public URL: https://nottingham-repository.worktribe.com/output/41932085
• Publisher URL: https://iopscience.iop.org/article/10.1088/2053-1583/ac4958
• Additional Information: Article Title: Spatial variation of geometry, binding, and electronic properties in the moiré superstructure of MoS2 on Au(111); Journal Title: 2D Materials; Article Type: paper; Copyright Information: © 2022 The Author(s). Published by IOP Publishing Ltd; Date Received: 2021-11-03; Date Accepted: 2022-01-07; Online publication date: 2022-01-26