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dc.contributor.authorCheng, Yingchun
dc.contributor.authorZhu, Zhiyong
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2015-08-12T09:00:12Z
dc.date.available2015-08-12T09:00:12Z
dc.date.issued2012
dc.identifier.issn20462069
dc.identifier.doi10.1039/c2ra20132a
dc.identifier.urihttp://hdl.handle.net/10754/566030
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.
dc.publisherRoyal Society of Chemistry (RSC)
dc.titleRole of interlayer coupling in ultra thin MoS2
dc.typeArticle
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.identifier.journalRSC Advances
kaust.personCheng, Yingchun
kaust.personZhu, Zhiyong
kaust.personSchwingenschlögl, Udo


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