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Communication dans un congrès

Theoretical calculations of second and third-order nonlinear susceptibilities and their corresponding hyperpolarizabilities of a styrylquinolinium dye

Abstract :

The second (Xexp(2)) and third-order (Xexp(3)) susceptibilities of a styrylquinolinium dye (1) have been determined utilizing second-harmonic generation (SHG) and third-harmonic generation (THG) techniques, respectively. The reported measurement findings on Xexp(2) and Xexp(3) have been compared with the theoretical data evaluated here by means of ab-initio quantum mechanical calculations. The electric dipole moments (μ), static dipole polarizabilities (a) and first hyperpolarizabilities (β) have been computed by density functional theory (DFT) at B3LYP/6-311+G(d, p) level. To reveal the frequency-dependent second and third-order microscopic nonlinear optical (NLO) behavior of the title compound, the dynamic dipole polarizabilities, first and second (γ) hyperpolarizabilities have been theoretically investigated using time-dependent Hartree-Fock (TDHF) method. According to the experimental and theoretical results, the values of susceptibilities and the corresponding microscopic coefficients with large non-zero responses make the examined dye promising candidate for NLO applications.

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https://hal.univ-angers.fr/hal-03345034
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Soumis le : mercredi 15 septembre 2021 - 12:06:43
Dernière modification le : jeudi 9 décembre 2021 - 15:46:06

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Citation

Asli Karakas, Y. Ceylan, R. Bakalska, M. Todorova, Z. Sofiani, et al.. Theoretical calculations of second and third-order nonlinear susceptibilities and their corresponding hyperpolarizabilities of a styrylquinolinium dye. 16th International Conference on Transparent Optical Networks (ICTON), 2014, Graz, Austria. pp.1-4, ⟨10.1109/ICTON.2014.6876555⟩. ⟨hal-03345034⟩

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