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dc.contributor.authorBulutay, C.en_US
dc.date.accessioned2016-02-08T10:14:49Z
dc.date.available2016-02-08T10:14:49Z
dc.date.issued2007en_US
dc.identifier.issn1386-9477
dc.identifier.urihttp://hdl.handle.net/11693/23500
dc.description.abstractThe structural control of silicon nanocrystals is an important technological problem. Typically, a distribution of nanocrystal sizes and shapes emerges under the uncontrolled aggregation of smaller clusters. The aim of this computational study is to investigate the evolution of the nanocrystal electronic states and their optical properties throughout their aggregation stages. To realistically tackle such systems, an atomistic electronic structure tool is required that can accommodate about tens of thousand nanocrystal and embedding lattice atoms with very irregular shapes. For this purpose, a computationally efficient pseudopotential-based electronic structure tool is developed that can handle realistic nanostructures based on the expansion of the wavefunction of the aggregate in terms of bulk Bloch bands of the constituent semiconductors. With this tool, the evolution of the electronic states as well as the polarization-dependent absorption spectra correlated with the oscillator strengths over their aggregation stages is traced. The low-lying aggregate nanocrystal states develop binding and anti-binding counterparts of the isolated states. Such information may become instrumental with the maturity of the controlled aggregation of these nanocrystals.en_US
dc.language.isoEnglishen_US
dc.source.titlePhysica E: Low-Dimensional Systems and Nanostructuresen_US
dc.relation.isversionofhttp://dx.doi.org/10.1016/j.physe.2006.12.018en_US
dc.subjectControlled aggregationen_US
dc.subjectElectronic structure evolutionen_US
dc.subjectSilicon nanocrystalsen_US
dc.subjectAbsorptionen_US
dc.subjectAgglomerationen_US
dc.subjectComputational methodsen_US
dc.subjectElectronic structureen_US
dc.subjectOptical propertiesen_US
dc.subjectSiliconen_US
dc.subjectControlled aggregationen_US
dc.subjectElectronic structure evolutionen_US
dc.subjectSilicon nanocrystalsen_US
dc.subjectNanocrystalsen_US
dc.titleElectronic structure and optical properties of silicon nanocrystals along their aggregation stagesen_US
dc.typeArticleen_US
dc.departmentDepartment of Physicsen_US
dc.departmentInstitute of Materials Science and Nanotechnology (UNAM)en_US
dc.citation.spage112en_US
dc.citation.epage117en_US
dc.citation.volumeNumber38en_US
dc.citation.issueNumber1-2en_US
dc.identifier.doi10.1016/j.physe.2006.12.018en_US
dc.publisherElsevier B.V.en_US


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