Universität zu Köln

Murray, Clifford ORCID: 0000-0002-5618-0915, van Efferen, Camiel, Jolie, Wouter, Fischer, Jeison Antonio, Hall, Joshua, Rosch, Achim ORCID: 0000-0002-6586-5721, Krasheninnikov, Arkady V., Komsa, Hannu-Pekka ORCID: 0000-0002-0970-0957 and Michely, Thomas (2020). Band Bending and Valence Band Quantization at Line Defects in MoS2. ACS Nano, 14 (7). S. 9176 - 9188. WASHINGTON: AMER CHEMICAL SOC. ISSN 1936-086X

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Abstract

The variation of the electronic structure normal to 1D defects in quasi-freestanding MoS2, grown by molecular beam epitaxy, is investigated through high resolution scanning tunneling spectroscopy at 5 K. Strong upward bending of valence and conduction bands toward the line defects is found for the 4 vertical bar 4E mirror twin boundary and island edges but not for the 4 vertical bar 4P mirror twin boundary. Quantized energy levels in the valence band are observed wherever upward band bending takes place. Focusing on the common 4 vertical bar 4E mirror twin boundary, density functional theory calculations give an estimate of its charging, which agrees well with electrostatic modeling. We show that the line charge can also be assessed from the filling of the boundary-localized electronic band, whereby we provide a measurement of the theoretically predicted quantized polarization charge at MoS2 mirror twin boundaries. These calculations elucidate the origin of band bending and charging at these 1D defects in MoS2. The 4 vertical bar 4E mirror twin boundary not only impairs charge transport of electrons and holes due to band bending, but holes are additionally subject to a potential barrier, which is inferred from the independence of the quantized energy landscape on either side of the boundary.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Murray, Clifford UNSPECIFIED orcid.org/0000-0002-5618-0915 UNSPECIFIED van Efferen, Camiel UNSPECIFIED UNSPECIFIED UNSPECIFIED Jolie, Wouter UNSPECIFIED UNSPECIFIED UNSPECIFIED Fischer, Jeison Antonio UNSPECIFIED UNSPECIFIED UNSPECIFIED Hall, Joshua UNSPECIFIED UNSPECIFIED UNSPECIFIED Rosch, Achim UNSPECIFIED orcid.org/0000-0002-6586-5721 UNSPECIFIED Krasheninnikov, Arkady V. UNSPECIFIED UNSPECIFIED UNSPECIFIED Komsa, Hannu-Pekka UNSPECIFIED orcid.org/0000-0002-0970-0957 UNSPECIFIED Michely, Thomas UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-325562
DOI:	10.1021/acsnano.0c04945
Journal or Publication Title:	ACS Nano
Volume:	14
Number:	7
Page Range:	S. 9176 - 9188
Date:	2020
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1936-086X
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Physics > Institute for Theoretical Physics
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language SINGLE-LAYER MOS2; GRAIN-BOUNDARIES; TRANSITION; MONOLAYER; GRAPHENE; STRAIN; MODULATION; INTERFACES; MOBILITY; DENSITY Multiple languages Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/32556