Second-order nonlinear optical coefficient of polyphosphazene-based materials: A theoretical study

Denis Jacquemin, Olivier Quinet, Benoît Champagne, Jean-Marie André

Research output: Contribution to journalArticle

Abstract

The second-order nonlinear optical coefficient of polyphosphazene (PP)-based materials was analyzed by using ab initio methods. It was observed that the hyperpolarizability(β)/N value of PP converged quicly with chain length. It was also observed that sidegroups had little influence on the NLO response of long PP oligomers. It was suggested that nitrogen must be replaced by silica in order to increase β value of PP.

Original languageEnglish
Pages (from-to)9401-9409
Number of pages9
JournalThe journal of chemical physics
Volume120
Issue number19
DOIs
Publication statusPublished - 15 May 2004

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