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Excitons in silicon nanocrystallites: The nature of luminescence (Articolo in rivista)

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Excitons in silicon nanocrystallites: The nature of luminescence (Articolo in rivista) (literal)

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Luppi, E; Iori, F; Magri, R; Pulci, O; Ossicini, S; Degoli, E; Olevano, V (2007)
Excitons in silicon nanocrystallites: The nature of luminescence
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Luppi, E; Iori, F; Magri, R; Pulci, O; Ossicini, S; Degoli, E; Olevano, V (literal)

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Univ Modena, CNR, INFM S3, I-41100 Modena, Italy; Univ Modena, Dipartimento Fis, I-41100 Modena, Italy; Univ Roma Tor Vergata, European Theoret Spect Facil, I-00133 Rome, Italy; Univ Roma Tor Vergata, Dept Phys, I-00133 Rome, Italy; Univ Modena, CNR INFM S3, I-42100 Reggio Emilia, Italy; Univ Modena, Dipartimento Sci & Metodi Ingn, I-42100 Reggio Emilia, Italy; European Theoret Spect Facil, F-38042 Grenoble, France; CNRS, UPR 11, Lab Etud Proprietes Elect Solides, F-38042 Grenoble, France (literal)

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Abstract

The absorption and emission spectra of silicon nanocrystals up to 1 nm diameter have been calculated within a first-principles framework. Our calculations include geometry optimization and the many-body effects induced by the creation of an electron-hole pair. Starting from hydrogenated silicon clusters of different sizes, different Si/O bondings at the cluster surface have been considered. We found that the presence of a Si-O-Si bridge bond causes significant excitonic luminescence features in the visible range that are in fair agreement with experiment. (literal)

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