17 research outputs found
Ab-initio and DFT methodologies for computing hyperpolarizabilities and susceptibilities of highly conjugated organic compounds for nonlinear optical applications
Second and third-order nonlinear optical behavior of natural pigment: chlorophyll and crocin
To provide an insight into the microscopic second and third-order nonlinear optical (NLO) behavior of chlorophyll a and crocin, we have computed the electric dipole moments (μ), dispersion-free first hyperpolarizabilities (β), frequency-dependent first and second (γ) hyperpolarizabilities at 1064 nm wavelength area using time-dependent Hartree-Fock (TDHF) method. According to ab-initio calculation results, the examined compounds exhibit first and second hyperpolarizabilities with non-zero values, implying second and third-order NLO phenomena
Computational studies on linear, second and third-order nonlinear optical properties of novel styrylquinolinium dyes
The electric dipole moments (μ), static dipole polarizabilities (α) and first hyperpolarizabilities (β) of styrylquinolinium dyes, D8 and D21, have been computed by density functional theory (DFT). The one-photon absorption (OPA) characterizations have been investigated using UV–vis spectroscopy and further interpreted using computational chemistry. The time-dependent Hartree–Fock (TDHF) method has been used to describe the dynamic dipole polarizabilities, dynamic second-order and also static and dynamic third-order nonlinear optical (NLO) properties. D8–D21 have rather high β and second hyperpolarizabilities (γ). The highest occupied molecular orbitals (HOMO), the lowest unoccupied molecular orbitals (LUMO) and the HOMO–LUMO band gaps for D8–D21 have been evaluated by DFT
Linear and Nonlinear Optical properties of ZnO Thin Films deposited by Pulsed Laser Depositio
This paper presents the structural and optical properties of ZnO thin films deposited by using pulsed laser deposition technique on quartz substrates. The deposition process was carried out at various temperatures of the substrates from room temperature to 825 K in order to investigate these properties of the films and their mutual influence. The structural and morphological properties of the films were investigated by X-Ray Diffraction and Atomic Force Microscopy measurements, respectively. The quality of the films was improved with an increase of the substrate temperature. The linear optical properties of the films were studied by classic and time-resolved photoluminescence spectra in the broad range of the temperature from 13 K to 325 K. Classic photoluminescence measurement allowed us to estimate band gap energy as a function of the temperature. An innovative time-resolved photoluminescence technique lets us precisely measure the decay time in the real time. Results of these measurements reveal a simple exponential decay behavior typical for well oriented crystalline thin films. Presented spectra confirm high structural and linear optical quality of investigated films. The nonlinear optical properties of the films were investigated by Third Harmonic Generation technique. Our results also indicated that the substrate temperature strongly affected nonlinear optical properties and the values of third order nonlinear susceptibilities were found to be high enough for the potential applications in the optical switching devices
Spin-coated nickel doped cadmium sulfide thin films for third harmonic generation applications
In the current study, different percentages of Nickel (0%, 2%, 4% and 6%) doped CdS thin films have been deposited on glass substrates by the sol-gel spin-coating technique. Before performing the nonlinear optical studies, the structural, morphological and optical properties were examined as a function of Ni doping concentration through the XRD, SEM, AFM and UV–vis spectrometry, respectively. According to the XRD patterns, all films are polycrystalline and the incorporation of Ni does not change qualitatively the crystalline phase of CdS. The Ni doping affects the surface morphology of the CdS thin films which is indicated by scanning electron microscopy and atomic force microscopy images. The band gap was determined via the equation related to the absorption coefficient. It\u27s deduced that the optical band-gap values increased from 2.35 eV to 2.41 eV depending on Ni content. Though, the nonlinear optical properties were determined based on the measurements of the third harmonic generation (THG) using the rotational Maker fringe technique. The results showed that the third order nonlinear optical susceptibilities oscillate between 5.40 × 10−21 m2/V2 for CdS:Ni (2%) and 4.98 × 10−21 m2/V2 for CdS:Ni (6%) while the pure CdS one falls inward, with a value of 5.09 × 10−21 m2/V2