Large crystal local-field effects in second-harmonic generation of Si/CaF2 interface: An ab-initio (Articolo in rivista)

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  • Large crystal local-field effects in second-harmonic generation of Si/CaF2 interface: An ab-initio (Articolo in rivista) (literal)
Anno
  • 2012-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.86.035309 (literal)
Alternative label
  • M. Bertocchi, E. Luppi, E. Degoli, V. Véniard, S. Ossicini (2012)
    Large crystal local-field effects in second-harmonic generation of Si/CaF2 interface: An ab-initio
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • M. Bertocchi, E. Luppi, E. Degoli, V. Véniard, S. Ossicini (literal)
Pagina inizio
  • 035309 (literal)
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  • 86 (literal)
Rivista
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  • 4 (literal)
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  • Dipartimento di Fisica, Università di Modena e Reggio Emilia, via Campi 213/A, 41125 Modena, Italy Laboratoire des Solides Irradiès, Ecole Polytechnique, Route de Saclay, F-91128 Palaiseau and European Theoretical Spectroscopy Facility (ETSF), France Department of Chemistry, University of California, Berkeley, California 94702, USA Istituto di Nanoscienze-CNR-S3 and Dipartimento di Scienze e Metodi dell'Ingegneria, Universit`a di Modena e Reggio Emilia, Via Amendola 2 Padiglione Morselli, I-42122 Reggio Emilia, Italy Centro Interdipartimentale En&Tech, Via Amendola 2 Padiglione Morselli, I-42122 Reggio Emilia, Italy (literal)
Titolo
  • Large crystal local-field effects in second-harmonic generation of Si/CaF2 interface: An ab-initio (literal)
Abstract
  • In this work we present the ab initio study of crystal local-field effects in second-harmonic generation spectroscopy for an interface material such as Si/CaF2. Starting from an independent particle picture, we demonstrate the fundamental importance of the polarization effects at the interface discontinuity. The estimation of the magnitude of crystal local-field effects for second-order nonlinear response in Si/CaF2 interface was done by a comparative study with the absorption spectroscopy in the linear response. In both cases, we observe that the microscopic fluctuations due to the inhomogeneities of the system cause a decrease of the intensities of the spectra. However, for second-harmonic generation the decrease is selective and completely inhomogeneous while for absorption it is almost rigid.We also compare our theoretical study with experimental data showing unambiguously that only when crystal local fields are included, it is possible to correctly interpret experimental results. (literal)
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