Universität zu Köln

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:	Creators Email ORCID ORCID Put Code Silva, Caio C. UNSPECIFIED UNSPECIFIED UNSPECIFIED Dombrowski, Daniela UNSPECIFIED UNSPECIFIED UNSPECIFIED Samad, Abdus UNSPECIFIED orcid.org/0000-0003-1018-7078 UNSPECIFIED Cai, Jiaqi UNSPECIFIED UNSPECIFIED UNSPECIFIED Jolie, Wouter UNSPECIFIED UNSPECIFIED UNSPECIFIED Hall, Joshua UNSPECIFIED UNSPECIFIED UNSPECIFIED Ryan, Paul T. P. UNSPECIFIED UNSPECIFIED UNSPECIFIED Thakur, Pardeep K. UNSPECIFIED UNSPECIFIED UNSPECIFIED Duncan, David A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Lee, Tien-Lin UNSPECIFIED UNSPECIFIED UNSPECIFIED Schwingenschlogl, Udo UNSPECIFIED UNSPECIFIED UNSPECIFIED Busse, Carsten UNSPECIFIED UNSPECIFIED UNSPECIFIED
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:	Keywords Language SURFACE-STRUCTURE DETERMINATION; HEXAGONAL BORON-NITRIDE; X-RAY PHOTOEMISSION; SINGLE-LAYER MOS2; DYNAMICAL DIFFRACTION; WAVE; GRAPHENE; SULFIDE; GROWTH Multiple languages Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/59299