Microscopic calculation of surface-induced second-harmonic generation in crystals of para-nitroaniline

M. Malagoli, R. W. Munn

    Research output: Contribution to journalArticlepeer-review

    Abstract

    Previous results for surface linear optical response in centrosymmetric para-nitroaniline crystals are combined with literature values for the molecular first hyperpolarizability to calculate the surface-induced quadratic response. The average surface quadratic susceptibilities for incident light at a wavelength of 803 nm are calculated to be 71 and 50×10-22m2 V-1 for different surface terminations normal to the [001] direction, and 9 and 7×10-22m2 V-1 for different surface terminations normal to the [101] direction (the natural cleavage plane). The latter values are three orders-of-magnitude below that determined by Kobayashi and Kotani, consistent with their evidence for bulk second-harmonic generation from a new phase at the surface.

    Original languageEnglish
    Pages (from-to)6757-6762
    Number of pages6
    JournalJournal of Chemical Physics
    Volume112
    Issue number15
    DOIs
    Publication statusPublished - 15 Apr 2000

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