Computational modeling of quantum-confined impact ionization in Si nanocrystals embedded in SiO2

dc.citation.epage121en_US
dc.citation.issueNumber1-2en_US
dc.citation.spage118en_US
dc.citation.volumeNumber38en_US
dc.contributor.authorSevik, C.en_US
dc.contributor.authorBulutay, C.en_US
dc.date.accessioned2016-02-08T10:15:02Z
dc.date.available2016-02-08T10:15:02Z
dc.date.issued2007en_US
dc.departmentDepartment of Physicsen_US
dc.departmentInstitute of Materials Science and Nanotechnology (UNAM)en_US
dc.description.abstractInjected carriers from the contacts to delocalized bulk states of the oxide matrix via Fowler-Nordheim tunneling can give rise to quantum-confined impact ionization (QCII) of the nanocrystal (NC) valence electrons. This process is responsible for the creation of confined excitons in NCs, which is a key luminescence mechanism. For a realistic modeling of QCII in Si NCs, a number of tools are combined: ensemble Monte Carlo (EMC) charge transport, ab initio modeling for oxide matrix, pseudopotential NC electronic states together with the closed-form analytical expression for the Coulomb matrix element of the QCII. To characterize the transport properties of the embedding amorphous SiO2, ab initio band structure and density of states of the α-quartz phase of SiO2 are employed. The confined states of the Si NC are obtained by solving the atomistic pseudopotential Hamiltonian. With these ingredients, realistic modeling of the QCII process involving a SiO2 bulk state hot carrier and the NC valence electrons is provided.en_US
dc.identifier.doi10.1016/j.physe.2006.12.044en_US
dc.identifier.issn1386-9477
dc.identifier.urihttp://hdl.handle.net/11693/23510
dc.language.isoEnglishen_US
dc.relation.isversionofhttp://dx.doi.org/10.1016/j.physe.2006.12.044en_US
dc.source.titlePhysica E: Low-Dimensional Systems and Nanostructuresen_US
dc.subjectEnsamble Monte Carloen_US
dc.subjectHigh field transporten_US
dc.subjectQuantum confined impact ionizationen_US
dc.subjectSi nanocrystalsen_US
dc.subjectAmorphous materialsen_US
dc.subjectCharge transferen_US
dc.subjectHamiltoniansen_US
dc.subjectIonizationen_US
dc.subjectLuminescenceen_US
dc.subjectMonte Carlo methodsen_US
dc.subjectQuantum confinementen_US
dc.subjectSilicaen_US
dc.subjectHigh field transporten_US
dc.subjectQuantum confined impact ionizationen_US
dc.subjectRealistic modelingen_US
dc.subjectValence electronsen_US
dc.subjectNanocrystalsen_US
dc.titleComputational modeling of quantum-confined impact ionization in Si nanocrystals embedded in SiO2en_US
dc.typeArticleen_US

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