Name
Title | ||
|---|---|---|
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. |
Year | DOI | Venue |
|---|---|---|
2014 | 10.1109/ICTON.2014.6876555 | Transparent Optical Networks |
Keywords | DocType | ISSN |
hf calculations,ab initio calculations,dyes,electric moments,molecular moments,nonlinear optical susceptibility,polarisability,quantum theory,b3lyp/ 6-311+g(d,p) level,dft,nlo,shg,tdhf,thg,ab-initio quantum mechanical calculations,density functional theory,dynamic dipole polarizabilities,electric dipole moments,second-harmonic generation,second-order microscopic nonlinear optical property,second-order nonlinear susceptibilities,static dipole polarizabilities,styrylquinolinium dye,third-order microscopic nonlinear optical property,third-order nonlinear susceptibilities,time-dependent hartree-fock method,dipole moment,hyperpolarizability,susceptibility,third-harmonic generation,time-dependent hartree-fock,nonlinear optics,geometry,electric potential,second harmonic generation | Conference | 2162-7339 |
Citations | PageRank | References |
0 | 0.34 | 0 |
Authors | ||
6 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| amanda i karakas | 1 | 0 | 0.34 |
| y ceylan | 2 | 0 | 0.34 |
| rumyana bakalska | 3 | 0 | 0.34 |
| m todorova | 4 | 0 | 0.68 |
| z sofiani | 5 | 0 | 0.34 |
| B. Sahraoui | 6 | 0 | 5.07 |