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 2018-05-22T14:46:48Z
dc.date.available 2018-05-22T14:46:48Z
dc.date.issued 2009-06-26
dc.identifier.citation Koponen , L , Tunturivuori , L O , Puska , M J & Nieminen , R M 2009 , ' Effect of the surrounding oxide on the photoabsorption spectra of Si nanocrystals ' Physical Review B , vol 79 , no. 23 , 235332 , pp. 1-6 . DOI: 10.1103/PhysRevB.79.235332 en
dc.identifier.issn 1098-0121
dc.identifier.issn 1550-235X
dc.identifier.other PURE UUID: bcc1facb-f2d5-47c8-bbb0-ea21dd4ad616
dc.identifier.other PURE ITEMURL: https://research.aalto.fi/en/publications/effect-of-the-surrounding-oxide-on-the-photoabsorption-spectra-of-si-nanocrystals(bcc1facb-f2d5-47c8-bbb0-ea21dd4ad616).html
dc.identifier.other PURE FILEURL: https://research.aalto.fi/files/14662859/PhysRevB.79.235332.pdf
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/31135
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 6
dc.format.extent 1-6
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries Physical Review B en
dc.relation.ispartofseries Volume 79, issue 23 en
dc.rights openAccess en
dc.subject.other 114 Physical sciences en
dc.subject.other 221 Nanotechnology en
dc.subject.other 214 Mechanical engineering en
dc.subject.other 218 Environmental engineering 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.contributor.department Department of Applied Physics
dc.subject.keyword photoluminiscence
dc.subject.keyword Si nanocrystals
dc.subject.keyword time-dependent density functional theory
dc.subject.keyword 114 Physical sciences
dc.subject.keyword 221 Nanotechnology
dc.subject.keyword 214 Mechanical engineering
dc.subject.keyword 218 Environmental engineering
dc.identifier.urn URN:NBN:fi:aalto-201805222575
dc.identifier.doi 10.1103/PhysRevB.79.235332
dc.type.version publishedVersion


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