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Electronic and Optical Properties of Silicon Nanocrystals: Structural Effects

Published online by Cambridge University Press:  10 February 2011

E. Degoli
Affiliation:
INFM- Research Center for nanoStructures and bioSystems at Surfaces(S3) Dipartimento di Scienze e Metodi dell'Ingegneria, Università di Modena e Reggio Emilia, via Allegri 13, 42100 Reggio Emilia, Italy
S. Ossicini
Affiliation:
INFM- Research Center for nanoStructures and bioSystems at Surfaces(S3) Dipartimento di Scienze e Metodi dell'Ingegneria, Università di Modena e Reggio Emilia, via Allegri 13, 42100 Reggio Emilia, Italy
M. Luppi
Affiliation:
INFM-Research Center for nanoStructures and bioSystems at Surfaces(S3) Dipartimento di Fisica, Università di Modena e Reggio Emilia, via Campi 213/A, 41100 Modena, Italy
E. Luppi
Affiliation:
INFM-Research Center for nanoStructures and bioSystems at Surfaces(S3) Dipartimento di Fisica, Università di Modena e Reggio Emilia, via Campi 213/A, 41100 Modena, Italy
R. Magri
Affiliation:
INFM-Research Center for nanoStructures and bioSystems at Surfaces(S3) Dipartimento di Fisica, Università di Modena e Reggio Emilia, via Campi 213/A, 41100 Modena, Italy
G. Cantele
Affiliation:
INFM and Universita' di Napoli “Federico II” - Dipartimento di Scienze Fisiche, Compl. Univ. M. S. Angelo, Via Cintia, I-80126 Napoli, Italy
D. Ninnoc
Affiliation:
INFM and Universita' di Napoli “Federico II” - Dipartimento di Scienze Fisiche, Compl. Univ. M. S. Angelo, Via Cintia, I-80126 Napoli, Italy
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Abstract

The aim of this work is to investigate the structural, electronic and optical properties of hydrogenated Si nanoclusters (H-Si-nc) in their ground and excited state configurations. Structural relaxations have been fully taken into account in all cases through total energy pseudopotential calculations. Recent results about ab-initio calculations of Stokes shift as a function of the cluster dimension and of optical gain will be presented here. A structural model that can be linked to the four level scheme recently invoked to explain the experimental outcomes relative to the observed optical gain in Si-nc embedded in a SiO2 matrix will be suggested too.

Type
Research Article
Copyright
Copyright © Materials Research Society 2003

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References

[1] Bisi, O., Ossicini, S., Pavesi, L., Surf. Sci. Reports 38, 5, (2000).CrossRefGoogle Scholar
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[3]Daldosso, N., et al., Physica E 321, 321 (2003)CrossRefGoogle Scholar
[4] Gain theory and models in silicon nanostructures, Ossicini, S., Arcangeli, C., Bisi, O., Degoli, E., Luppi, M., Magri, R., L. Dal Negro, Pavesi, L., Nato Science Series Volume: Towards the First Silicon Laser ed. by Kluwer, Academic Publishers (The Netherlands), 261280 (2003).Google Scholar
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[6] The Abinit code is a common project of the Université Catholique de Louvain, Corning Incorporated, and other contributors (URL http://www.abinit.org). Actually, four other institutions have significantly contributed to the Abinit effort: the Université de Liège, the Commissariat à l'Energie Atomique, Mitsubishi Chemical Corp., the Ecole Polytechnique Palaiseau.Google Scholar
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