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dc.contributor.authorAmin, Bin
dc.contributor.authorKaloni, Thaneshwor P.
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2015-08-03T11:43:42Z
dc.date.available2015-08-03T11:43:42Z
dc.date.issued2014-08-12
dc.identifier.issn20462069
dc.identifier.doi10.1039/c4ra06378c
dc.identifier.urihttp://hdl.handle.net/10754/563231
dc.description.abstractWe perform first-principles calculations to investigate the structural, electronic, and vibrational properties of WS2, WSe2, and WTe2 monolayers, taking into account the strong spin orbit coupling. A transition from a direct to an indirect band gap is achieved for compressive strain of 1% for WS2, 1.5% for WSe2, and 2% for WTe 2, while the nature of the band gap remains direct in the case of tensile strain. The size of the band gap passes through a maximum under compressive strain and decreases monotonically under tensile strain. A strong spin splitting is found for the valence band in all three compounds, which is further enhanced by tensile strain. The mobility of the electrons grows along the series WS2 < WSe2 < WTe2. This journal is © the Partner Organisations 2014.
dc.description.sponsorshipResearch reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).
dc.publisherRoyal Society of Chemistry (RSC)
dc.titleStrain engineering of WS2, WSe2, and WTe2
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalRSC Advances
kaust.personAmin, Bin
kaust.personKaloni, Thaneshwor P.
kaust.personSchwingenschlögl, Udo


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