Structure of monolayer 2H − TaS2 on Au(111)

DOI: 10.1103/PhysRevB.104.205414

Authors: Caio C. Silva (Westfälische Wilhelms-Universität Münster; Diamond Light Source) , Daniela Dombrowski (Westfälische Wilhelms-Universität Münster; Universität Siegen) , Abdus Samad (King Abdullah University of Science and Technology (KAUST)) , Jiaqi Cai (Westfälische Wilhelms-Universität Münster; Universität Siegen) , Wouter Jolie (Universität zu Köln) , Joshua Hall (Universität zu Köln) , Paul Ryan (Diamond Light Source; Imperial College London) , Pardeep K. Thakur (Diamond Light Source) , David A. Duncan (Diamond Light Source) , Tien-Lin Lee (Diamond Light Source) , Udo Schwingenschlögl (King Abdullah University of Science and Technology (KAUST)) , Carsten Busse (Westfälische Wilhelms-Universität Münster; Universität Siegen)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Review B , VOL 104

State: Published (Approved)
Published: November 2021
Diamond Proposal Number(s): 14799 , 16710 , 19801

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.

Journal Keywords: Charge density waves; Chemical bonding; Chemisorption; Density of states; Growth; Local density of states; Physisorption; Structural properties; Surface & interfacial phenomena; 2-dimensional systems; Transition-metal dichalcogenide

Subject Areas: Materials, Physics


Instruments: I09-Surface and Interface Structural Analysis

Added On: 11/11/2021 10:10

Discipline Tags:

Surfaces Physics Hard condensed matter - structures Materials Science

Technical Tags:

Diffraction Spectroscopy X-ray Standing Wave (XSW) X-ray Photoelectron Spectroscopy (XPS)