Show simple item record

dc.contributor.authorStiehler, Christian
dc.contributor.authorPan, Yi
dc.contributor.authorSchneider, Wolf-Dieter
dc.contributor.authorKoskinen, Pekka
dc.contributor.authorHäkkinen, Hannu
dc.contributor.authorNilius, Niklas
dc.contributor.authorFreund, Hans-Joachim
dc.date.accessioned2016-02-16T06:38:39Z
dc.date.available2016-02-16T06:38:39Z
dc.date.issued2013
dc.identifier.citationStiehler, C., Pan, Y., Schneider, W.-D., Koskinen, P., Häkkinen, H., Nilius, N., & Freund, H.-J. (2013). Electron quantization in arbitrarily shaped Au islands on MgO thin films. <i>Physical Review B</i>, <i>88</i>, Article 115415. <a href="https://doi.org/10.1103/PhysRevB.88.115415" target="_blank">https://doi.org/10.1103/PhysRevB.88.115415</a>
dc.identifier.otherCONVID_23216037
dc.identifier.otherTUTKAID_60652
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/48789
dc.description.abstractLow-temperature scanning tunneling microscopy has been employed to analyze the formation of quantum well states (QWS) in two-dimensional gold islands, containing between 50 and 200 atoms, on MgO thin films. The energy position and symmetry of the eigenstates are revealed from conductance spectroscopy and imaging. The majority of the QWS originates from overlapping Au 6p orbitals in the individual atoms and is unoccupied. Their characteristic is already reproduced with simple particle-in-a-box models that account for the symmetry of the islands (rectangular, triangular, or linear). However, better agreement is achieved when considering the true atomic structure of the aggregates via a density functional tight-binding approach. Based on a statistically relevant number of single-island data, we have established a correlation between the island geometry and the gap between the highest-occupied and the lowest-unoccupied molecular orbital in the finite-sized islands. The linear eccentricity is identified as a suitable descriptor for this relationship, as it combines information on both island size and island shape. Finally, the depth of the confinement potential is determined from the spatial extension of QWS beyond the physical boundaries of the Au islands. Our paper demonstrates how electron quantization effects can be analyzed in detail in metal nanostructures. The results may help elucidating the interplay between electronic and chemical properties of oxide-supported clusters as used in heterogeneous catalysis.
dc.language.isoeng
dc.publisherAmerican Physical Society
dc.relation.ispartofseriesPhysical Review B
dc.subject.othercomputational nanoscience
dc.subject.otherSTM
dc.subject.otherelectronic structure simulations
dc.subject.otherdft
dc.titleElectron quantization in arbitrarily shaped Au islands on MgO thin films
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201602031415
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineFysiikkafi
dc.contributor.oppiaineFysikaalinen kemiafi
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiainePhysicsen
dc.contributor.oppiainePhysical Chemistryen
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2016-02-03T10:15:15Z
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.relation.issn1098-0121
dc.relation.volume88
dc.type.versionpublishedVersion
dc.rights.copyright© 2013 American Physical Society. Published in this repository with the kind permission of the publisher.
dc.rights.accesslevelopenAccessfi
dc.relation.doi10.1103/PhysRevB.88.115415
dc.type.okmA1


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record