Spatial variation of geometry, binding, and electronic properties in the moiré superstructure of MoS 2 on Au(111)

DOI: 10.1088/2053-1583/ac4958

Authors: Caio Silva (Universidade Estadual de Campinas) , Daniela Dombrowski (Institut für Materialphysik, WWU) , Nicolae Atodiresei (Forschungszentrum Juelich, Peter Grunberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1)) , Wouter Jolie (Universitat zu Koln) , Ferdinand Farwick Zum Hagen (Universitat zu Koln) , Jiaqi Cai (Universität Siegen) , Paul Ryan (Diamond Light Source) , Pardeep Kumar Thakur (Diamond Light Source) , Vasile Caciuc (Forschungszentrum Juelich, Peter Grunberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1)) , Stefan Bluegel (Forschungszentrum Juelich, Peter Grunberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1)) , David Andrew Duncan (Diamond Light Source) , Thomas Michely (Universitat zu Koln) , Tien-Lin Lee (Diamond Light Source) , Carsten Busse (Universität Siegen)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: 2d Materials

State: Published (Approved)
Published: January 2022
Diamond Proposal Number(s): 14799 , 16710 , 19801

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 (DFT). 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.

Subject Areas: Materials, Physics


Instruments: I09-Surface and Interface Structural Analysis

Added On: 11/01/2022 09:04

Discipline Tags:

Surfaces Hard condensed matter - electronic properties Physics Materials Science

Technical Tags:

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