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Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.14279/4388
DC FieldValueLanguage
dc.contributor.authorHadjisavvas, George C.-
dc.contributor.authorIdrobo, Juan Carlos-
dc.contributor.authorKelires, Pantelis C.-
dc.date.accessioned2013-03-04T10:21:54Zen
dc.date.accessioned2013-05-17T10:30:16Z-
dc.date.accessioned2015-12-09T12:08:08Z-
dc.date.available2013-03-04T10:21:54Zen
dc.date.available2013-05-17T10:30:16Z-
dc.date.available2015-12-09T12:08:08Z-
dc.date.issued2010-09-09-
dc.identifier.citationPhysical Review B, 2010, vol. 82, no. 12en_US
dc.identifier.issn1550235X-
dc.identifier.urihttps://hdl.handle.net/20.500.14279/4388-
dc.description.abstractThe optical gaps of free and embedded Si nanoclusters are studied within the time-dependent local-density approximation. The effects of deformation, the bonding of individual O atoms on the surface, and coverage by SiO 2 layers on the highest occupied molecular orbital-lowest unoccupied molecular orbital and optical gaps are systematically compared. It is found that all three can have a significant impact. Oxygen bonded to the surface and deformation cause the greatest reduction in the gaps, particularly in combination.en_US
dc.formatpdfen_US
dc.language.isoenen_US
dc.relation.ispartofPhysical Review Ben_US
dc.rights© The American Physical Societyen_US
dc.subjectPorous siliconen_US
dc.subjectPhotoluminescenceen_US
dc.subjectSilicon nanocrystalsen_US
dc.titleOptical gaps of free and embedded si nanoclusters: density functional theory calculationsen_US
dc.typeArticleen_US
dc.collaborationVanderbilt Universityen_US
dc.collaborationCyprus University of Technologyen_US
dc.collaborationOak Ridge National Laboratoryen_US
dc.journalsSubscriptionen_US
dc.reviewpeer reviewed-
dc.countryUnited Statesen_US
dc.countryCyprusen_US
dc.subject.fieldEngineering and Technologyen_US
dc.publicationPeer Revieweden_US
dc.identifier.doi10.1103/PhysRevB.82.125310en_US
dc.dept.handle123456789/141en
dc.relation.issue12en_US
dc.relation.volume82en_US
cut.common.academicyear2010-2011en_US
item.grantfulltextnone-
item.openairecristypehttp://purl.org/coar/resource_type/c_6501-
item.fulltextNo Fulltext-
item.languageiso639-1en-
item.cerifentitytypePublications-
item.openairetypearticle-
crisitem.journal.journalissn2469-9969-
crisitem.journal.publisherAmerican Physical Society-
crisitem.author.deptDepartment of Mechanical Engineering and Materials Science and Engineering-
crisitem.author.facultyFaculty of Engineering and Technology-
crisitem.author.orcid0000-0002-0268-259X-
crisitem.author.parentorgFaculty of Engineering and Technology-
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