Role of interlayer coupling in ultra thin MoS2

Handle URI:
http://hdl.handle.net/10754/566030
Title:
Role of interlayer coupling in ultra thin MoS2
Authors:
Cheng, Yingchun; Zhu, Zhiyong; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The effects of interlayer coupling on the vibrational and electronic properties of ultra thin MoS 2 were studied by ab initio calculations. For smaller slab thickness, the interlayer distance is significantly elongated because of reduced interlayer coupling. This explains the anomalous thickness dependence of the lattice vibrations observed by Lee et al. (ACS Nano, 2010, 4, 2695). The absence of interlayer coupling in mono-layer MoS 2 induces a transition from direct to indirect band gap behaviour. Our results demonstrate a strong interplay between the intralayer chemical bonding and the interlayer van-der-Waals interaction. This journal is © 2012 The Royal Society of Chemistry.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Publisher:
Royal Society of Chemistry (RSC)
Journal:
RSC Advances
Issue Date:
2012
DOI:
10.1039/c2ra20132a
Type:
Article
ISSN:
20462069
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorCheng, Yingchunen
dc.contributor.authorZhu, Zhiyongen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-12T09:00:12Zen
dc.date.available2015-08-12T09:00:12Zen
dc.date.issued2012en
dc.identifier.issn20462069en
dc.identifier.doi10.1039/c2ra20132aen
dc.identifier.urihttp://hdl.handle.net/10754/566030en
dc.description.abstractThe effects of interlayer coupling on the vibrational and electronic properties of ultra thin MoS 2 were studied by ab initio calculations. For smaller slab thickness, the interlayer distance is significantly elongated because of reduced interlayer coupling. This explains the anomalous thickness dependence of the lattice vibrations observed by Lee et al. (ACS Nano, 2010, 4, 2695). The absence of interlayer coupling in mono-layer MoS 2 induces a transition from direct to indirect band gap behaviour. Our results demonstrate a strong interplay between the intralayer chemical bonding and the interlayer van-der-Waals interaction. This journal is © 2012 The Royal Society of Chemistry.en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.titleRole of interlayer coupling in ultra thin MoS2en
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalRSC Advancesen
kaust.authorCheng, Yingchunen
kaust.authorZhu, Zhiyongen
kaust.authorSchwingenschlögl, Udoen
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