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

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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.

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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oligomers
silicon dioxide
nitrogen
coefficients
Chain length
Oligomers
Silicon Dioxide
Nitrogen
poly(phosphazene)

Cite this

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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}",
year = "2004",
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pages = "9401--9409",
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T1 - Second-order nonlinear optical coefficient of polyphosphazene-based materials

T2 - A theoretical study

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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