Structure of monolayer 2−TaS on Au(111)

Abstract
We determined the structure of epitaxial 2H-TaS2 on Au(111) using the method of x-ray standing waves (XSW), supported by density functional theory (DFT) calculations and scanning tunneling microscopy (STM). The lattice mismatch between substrate and overlayer gives rise to a moiré superstructure, which modulates the structural and electronic properties. For a specific registry (S atoms directly above Au substrate atoms), local covalentlike bonds form, whereas globally weak van der Waals bonding prevails. Still, the TaS2 layer remains rather flat. Significant charge transfer from Au(111) into the conduction band of the two-dimensional material is found.

Citation
Silva, C. C., Dombrowski, D., Samad, A., Cai, J., Jolie, W., Hall, J., … Busse, C. (2021). Structure of monolayer 2H−TaS2 on Au(111). Physical Review B, 104(20). doi:10.1103/physrevb.104.205414

Acknowledgements
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). We acknowledge Diamond Light Source for the award of beam times (SI14799-1, SI16710-1, and SI19801-1) and support from T. Michely (Köln). P.T.P.R. was supported by the Advanced Characterisation of Materials (ACM) CDT.

Publisher
American Physical Society (APS)

Journal
Physical Review B

DOI
10.1103/physrevb.104.205414

Additional Links
https://link.aps.org/doi/10.1103/PhysRevB.104.205414

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