Effect of the surrounding oxide on the photoabsorption spectra of Si nanocrystals

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Koponen, Laura
dc.contributor.author Tunturivuori, Lasse O.
dc.contributor.author Puska, Martti J.
dc.contributor.author Nieminen, Risto M.
dc.date.accessioned 2015-07-28T09:01:51Z
dc.date.available 2015-07-28T09:01:51Z
dc.date.issued 2009
dc.identifier.citation Koponen, Laura & Tunturivuori, Lasse O. & Puska, Martti J. & Nieminen, Risto M. 2009. Effect of the surrounding oxide on the photoabsorption spectra of Si nanocrystals. Physical Review B. Volume 79, Issue 23. 235332/1-6. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.79.235332. en
dc.identifier.issn 1550-235X (electronic)
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/17275
dc.description.abstract A systematic study of the optical absorption of small silicon nanocrystals (Si-NCs) embedded in silicon dioxide is performed using real-time time-dependent density-functional theory. The modeled Si-NCs contain up to 47 Si atoms with the surrounding oxide being described by a shell of SiO2. The oxide-embedded Si-NCs exhibit absorption spectra that differ significantly from the spectra of the hydrogen-passivated Si-NCs. In particular, the minimum absorption energy is found to decrease when the Si-NCs are exposed to dioxide coating. Unexpectedly, the absorption energy of the oxide-embedded Si-NCs remains approximately constant for core sizes down to 17 atoms, whereas the absorption energy of the hydrogen-passivated Si-NCs increases with decreasing crystal size. This trend suggests a different mechanism for producing the lowest-energy excitations in these two cases. en
dc.format.extent 235332/1-6
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Physical Society (APS) en
dc.relation.ispartofseries Physical Review B en
dc.relation.ispartofseries Volume 79, Issue 23
dc.rights © 2009 American Physical Society (APS). This is the accepted version of the following article: Koponen, Laura & Tunturivuori, Lasse O. & Puska, Martti J. & Nieminen, Risto M. 2009. Effect of the surrounding oxide on the photoabsorption spectra of Si nanocrystals. Physical Review B. Volume 79, Issue 23. 235332/1-6. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.79.235332, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.79.235332. en
dc.subject.other Physics en
dc.title Effect of the surrounding oxide on the photoabsorption spectra of Si nanocrystals en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.rights.holder American Physical Society (APS)
dc.contributor.school Perustieteiden korkeakoulu fi
dc.contributor.school School of Science en
dc.contributor.department Teknillisen fysiikan laitos fi
dc.contributor.department Department of Applied Physics en
dc.subject.keyword Si nanocrystals en
dc.subject.keyword photoluminiscence en
dc.subject.keyword time-dependent density functional theory en
dc.identifier.urn URN:NBN:fi:aalto-201507283903
dc.type.dcmitype text en
dc.identifier.doi 10.1103/physrevb.79.235332
dc.type.version Final published version en


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