Strain engineering of WS2, WSe2, and WTe2

Handle URI:
http://hdl.handle.net/10754/563231
Title:
Strain engineering of WS2, WSe2, and WTe2
Authors:
Amin, Bin ( 0000-0003-1284-1934 ) ; Kaloni, Thaneshwor P.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
We 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Royal Society of Chemistry (RSC)
Journal:
RSC Advances
Issue Date:
2014
DOI:
10.1039/c4ra06378c
Type:
Article
ISSN:
20462069
Sponsors:
Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorAmin, Binen
dc.contributor.authorKaloni, Thaneshwor P.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T11:43:42Zen
dc.date.available2015-08-03T11:43:42Zen
dc.date.issued2014en
dc.identifier.issn20462069en
dc.identifier.doi10.1039/c4ra06378cen
dc.identifier.urihttp://hdl.handle.net/10754/563231en
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.en
dc.description.sponsorshipResearch reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.titleStrain engineering of WS2, WSe2, and WTe2en
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalRSC Advancesen
kaust.authorAmin, Binen
kaust.authorKaloni, Thaneshwor P.en
kaust.authorSchwingenschlögl, Udoen
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