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

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

doi:10.1063/1.1691398

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

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

Unit of theoretical and structural physico-chemistry

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	9401-9409
Number of pages	9
Journal	The Journal of chemical physics
Volume	120
Issue number	19
DOIs	https://doi.org/10.1063/1.1691398
Publication status	Published - 15 May 2004

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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.",

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AU - Jacquemin, Denis

AU - Quinet, Olivier

AU - Champagne, Benoît

AU - André, Jean-Marie

PY - 2004/5/15

Y1 - 2004/5/15

N2 - 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.

AB - 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.

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

Abstract

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