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
Excitons in Silicon Nanocrystallites: the Nature of Luminescence / E., Luppi; F., Iori; Magri, Rita; O., Pulci; Degoli, Elena; Ossicini, Stefano; V., Olevano. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - STAMPA. - 75:3(2007), pp. 033303(1)-033303(4). [10.1103/PhysRevB.75.033303]
Excitons in Silicon Nanocrystallites: the Nature of Luminescence
MAGRI, Rita;DEGOLI, Elena;OSSICINI, Stefano;
2007
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
| File | Dimensione | Formato | |
|---|---|---|---|
|
PhysRevB.75.033303.pdf
Accesso riservato
Tipologia:
Versione dell'autore revisionata e accettata per la pubblicazione
Dimensione
373.33 kB
Formato
Adobe PDF
|
373.33 kB | Adobe PDF | Visualizza/Apri Richiedi una copia |
Pubblicazioni consigliate
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris
