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 | |
| état | Publié - 15 mai 2004 |
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Second-order nonlinear optical coefficient of polyphosphazene-based materials : A theoretical study. / Jacquemin, Denis; Quinet, Olivier; Champagne, Benoît; André, Jean-Marie.
Dans: The journal of chemical physics, Vol 120, Numéro 19, 15.05.2004, p. 9401-9409.Résultats de recherche: Contribution à un journal/une revue › Article
TY - JOUR
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.
UR - http://www.scopus.com/inward/record.url?scp=2942586967&partnerID=8YFLogxK
U2 - 10.1063/1.1691398
DO - 10.1063/1.1691398
M3 - Article
AN - SCOPUS:2942586967
VL - 120
SP - 9401
EP - 9409
JO - The journal of chemical physics
JF - The journal of chemical physics
SN - 0021-9606
IS - 19
ER -