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

Unite de recherche en chimie physique, theorique et structurale

Résultats de recherche: Contribution à un journal/une revue › Article › Revue par des pairs

Résumé

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.

langue originale	Anglais
Pages (de - à)	9401-9409
Nombre de pages	9
journal	The journal of chemical physics
Volume	120
Numéro de publication	19
Les DOIs	https://doi.org/10.1063/1.1691398
Etat de la publication	Publié - 15 mai 2004

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10.1063/1.1691398

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title = "Second-order nonlinear optical coefficient of polyphosphazene-based materials: A theoretical study",

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.",

author = "Denis Jacquemin and Olivier Quinet and Beno{\^i}t Champagne and Jean-Marie Andr{\'e}",

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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

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