Show simple item record

dc.contributor.authorKoskinen, Pekka
dc.contributor.authorFampiou, Ioanna
dc.contributor.authorRamasubramaniam, Ashwin
dc.date.accessioned2016-02-02T08:22:39Z
dc.date.available2016-02-02T08:22:39Z
dc.date.issued2014
dc.identifier.citationKoskinen, P., Fampiou, I., & Ramasubramaniam, A. (2014). Density-Functional Tight-Binding Simulations of Curvature-Controlled Layer Decoupling and Band-Gap Tuning in Bilayer MoS2. <i>Physical review letters</i>, <i>112</i>(18), Article 186802. <a href="https://doi.org/10.1103/PhysRevLett.112.186802" target="_blank">https://doi.org/10.1103/PhysRevLett.112.186802</a>
dc.identifier.otherCONVID_23806062
dc.identifier.otherTUTKAID_62619
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/48568
dc.description.abstractMonolayer transition-metal dichalcogenides (TMDCs) display valley-selective circular dichroism due to the presence of time-reversal symmetry and the absence of inversion symmetry, making them promising candidates for valleytronics. In contrast, in bilayer TMDCs both symmetries are present and these desirable valley-selective properties are lost. Here, by using density-functional tight-binding electronic structure simulations and revised periodic boundary conditions, we show that bending of bilayer MoS2 sheets breaks band degeneracies and localizes states on separate layers due to bendinginduced strain gradients across the sheets. We propose a strategy for employing bending deformations in bilayer TMDCs as a simple yet effective means of dynamically and reversibly tuning their band gaps while simultaneously tuning valley-selective physics.
dc.language.isoeng
dc.publisherAmerican Physical Society
dc.relation.ispartofseriesPhysical review letters
dc.subject.othertransition-metal dichalcogenides
dc.subject.otheraugmented-wave method
dc.titleDensity-Functional Tight-Binding Simulations of Curvature-Controlled Layer Decoupling and Band-Gap Tuning in Bilayer MoS2
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201602011366
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineFysiikkafi
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiainePhysicsen
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2016-02-01T10:15:15Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.relation.issn0031-9007
dc.relation.numberinseries18
dc.relation.volume112
dc.type.versionpublishedVersion
dc.rights.copyright© 2014 American Physical Society. Published in this repository with the kind permission of the publisher.
dc.rights.accesslevelopenAccessfi
dc.relation.doi10.1103/PhysRevLett.112.186802


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record