Effect of edge plasmons on the optical properties of MoS2 monolayer flakes

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dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorRossi, Tuomas P.en_US
dc.contributor.authorWinther, Kirsten T.en_US
dc.contributor.authorJacobsen, Karsten W.en_US
dc.contributor.authorNieminen, Risto M.en_US
dc.contributor.authorPuska, Martti J.en_US
dc.contributor.authorThygesen, Kristian S.en_US
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.groupauthorElectronic Properties of Materialsen
dc.contributor.organizationTechnical University of Denmarken_US
dc.date.accessioned2017-11-21T13:38:19Z
dc.date.available2017-11-21T13:38:19Z
dc.date.issued2017-10-05en_US
dc.description.abstractFinite MoS2 nanoparticles are known to support metallic edge states that are responsible for their catalytic activity. In this work we employ time-dependent density-functional theory (TDDFT) to study the influence of such edge states on the optical properties of triangular MoS2 monolayer flakes. We find that the edge states support collective plasmon-like excitations that couple strongly to the optical field leading to pronounced absorption peaks below the onset of interband transitions on the basal plane. Additionally, structural relaxation of the flakes can significantly distort the edge states. Thus, we observe that while an evenly-spaced edge configuration supports one-dimensional (1D) plasmon modes similar to those of an ideal 1D electron gas, the relaxed structures show mixed plasmon and single-electron excitations in the low-energy response. Our findings illustrate the sensitivity of the optical response of MoS2 nanostructures to the details of the edge configuration.en
dc.description.versionPeer revieweden
dc.format.extent10
dc.format.mimetypeapplication/pdfen_US
dc.identifier.citationRossi, T P, Winther, K T, Jacobsen, K W, Nieminen, R M, Puska, M J & Thygesen, K S 2017, ' Effect of edge plasmons on the optical properties of MoS2 monolayer flakes ', Physical Review B, vol. 96, no. 15, 155407 . https://doi.org/10.1103/PhysRevB.96.155407en
dc.identifier.doi10.1103/PhysRevB.96.155407en_US
dc.identifier.issn2469-9950
dc.identifier.issn1550-235X
dc.identifier.otherPURE UUID: abcce1dc-7ada-4272-b9f4-9a092c41d3ffen_US
dc.identifier.otherPURE ITEMURL: https://research.aalto.fi/en/publications/abcce1dc-7ada-4272-b9f4-9a092c41d3ffen_US
dc.identifier.otherPURE FILEURL: https://research.aalto.fi/files/15915841/PhysRevB.96.155407_1.pdfen_US
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/28844
dc.identifier.urnURN:NBN:fi:aalto-201711217665
dc.language.isoenen
dc.relation.ispartofseriesPHYSICAL REVIEW Ben
dc.relation.ispartofseriesVolume 96, issue 15en
dc.rightsopenAccessen
dc.subject.keywordDER-WAALS HETEROSTRUCTURESen_US
dc.subject.keywordELECTRONIC-STRUCTUREen_US
dc.subject.keywordNANOCLUSTERSen_US
dc.subject.keywordAPPROXIMATIONen_US
dc.subject.keywordNANOPARTICLESen_US
dc.subject.keywordGRAPHENEen_US
dc.subject.keywordSITESen_US
dc.subject.keywordNANOSTRUCTURESen_US
dc.subject.keywordSYSTEMSen_US
dc.subject.keywordSIZEen_US
dc.titleEffect of edge plasmons on the optical properties of MoS2 monolayer flakesen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.versionpublishedVersion
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