Silva, Caio C., Dombrowski, Daniela, Samad, Abdus ORCID: 0000-0003-1018-7078, Cai, Jiaqi, Jolie, Wouter, Hall, Joshua, Ryan, Paul T. P., Thakur, Pardeep K., Duncan, David A., Lee, Tien-Lin, Schwingenschlogl, Udo and Busse, Carsten (2021). Structure of monolayer 2H-TaS2 on Au(111). Phys. Rev. B, 104 (18). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2469-9969

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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 moire 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.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Silva, Caio C.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Dombrowski, DanielaUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Samad, AbdusUNSPECIFIEDorcid.org/0000-0003-1018-7078UNSPECIFIED
Cai, JiaqiUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Jolie, WouterUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Hall, JoshuaUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Ryan, Paul T. P.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Thakur, Pardeep K.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Duncan, David A.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Lee, Tien-LinUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Schwingenschlogl, UdoUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Busse, CarstenUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-592996
DOI: 10.1103/PhysRevB.104.205414
Journal or Publication Title: Phys. Rev. B
Volume: 104
Number: 18
Date: 2021
Publisher: AMER PHYSICAL SOC
Place of Publication: COLLEGE PK
ISSN: 2469-9969
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
SURFACE-STRUCTURE DETERMINATION; HEXAGONAL BORON-NITRIDE; X-RAY PHOTOEMISSION; SINGLE-LAYER MOS2; DYNAMICAL DIFFRACTION; WAVE; GRAPHENE; SULFIDE; GROWTHMultiple languages
Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed MatterMultiple languages
URI: http://kups.ub.uni-koeln.de/id/eprint/59299

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