Linear Optical Susceptibilities Research Articles

Core-shell nanomaterials based on La2FeCrO6 coated with metal oxides for optical applications

In this research work, the preparation of core/shell nanoparticles comprising La2FeCrO6 (LFCO) as the core was accompanied by the choice of ZnO and CuO as different shells. Structural and optical characteristics were investigated for the LFCO (core) relative to La2FeCrO6/ZnO and La2FeCrO6/CuO core/shell NPs. x-ray diffraction analyses reveal the conformation of core/shell structures within average crystallite sizes of 22.46 nm and 25.03 nm. Raman spectroscopy and Fourier-transform infrared spectroscopy (FTIR) were performed to provide fundamental information about the vibrational modes and the functional groups of core/shell NPs, respectively. x-ray photoelectron spectroscopy (XPS) detects the electronic states of the constituent elements of the core/shell nanostructures, including lanthanum, iron, chromium, oxygen, zinc, and copper. Optical characteristics have been extensively analyzed using UV spectroscopy. The energy gap (Eg) was determined by utilizing both Tauc and Derivation of Absorbance Spectrum Fitting (DASF) methods. LFCO/ZnO and LFCO/CuO core/shell NPs exhibit a direct optical transition, similar to that of the core LFCO NPs, with a decrease in band gap value from 3.4 eV for the core to 3.3 eV and 3.18 eV for LFCO/ZnO and LFCO/CuO core/shell NPs respectively. The enhanced transparency of core/shell NPs, particularly at longer wavelengths, is evident from the decrease in refractive index (n) compared to that of the core (LFCO) NPs. This decrease is attributed to the encapsulation of LFCO with either ZnO or CuO NPs. The samples exhibit a decline in both linear and non-linear optical susceptibilities with respect to the square of photon energy. The LFCO/CuO sample shows excellent results in the photocatalytic degradation of aqueous organic dyes, considering it a promising candidate for wastewater treatment and the removal of organic pollutants.

Flexible and innovative PVA/ZrO2/g-C3N4/CNT nanocomposites film for optoelectronic applications

This study successfully prepared polyvinyl alcohol (PVA) polymer films doped with ZrO2/(g-C3N4/CNT) nanofillers using the solution casting technique. The crystal structure of the nanocomposite films was characterized by X-ray diffraction (XRD), revealing the semi-crystalline nature of PVA and an average ZrO2 crystallite size of 13.17 nm. Fourier-transform infrared (FTIR) spectroscopy confirmed the chemical composition and functional groups present in the nanocomposites. Scanning electron microscopy (SEM) and energy-dispersive X-ray (EDX) analysis showed uniform dispersion of the nanofillers without noticeable phase separation, with EDX confirming the successful incorporation of ZrO2, g-C3N4, and CNT into the PVA matrix. X-ray photoelectron spectroscopy (XPS) further validated the elemental composition and chemical states, indicating the presence of carbon, oxygen, nitrogen, and zirconium. Optical analysis demonstrated that increasing ZrO2/(g-C3N4/CNT) content reduced the direct and indirect band gaps from 5.41 eV to 5.25 eV and from 5.18 eV to 4.92 eV, respectively. In addition, the single-oscillator energy (E0) and dispersion energy (Ed) increased, while the static refractive index (n0) decreased. Improvements were also observed in linear optical susceptibility (χ(1)) and third-order nonlinear optical susceptibility (χ(3)), enhancing the polarizability of the polymer molecules. These results indicate that PVA films doped with ZrO2/(g-C3N4/CNT) hold promise for optoelectronic applications due to their enhanced optical properties.

(Cd)SO4 doping on L-Valine crystal for the enhancement of opto-electronic and laser properties

L-Valine is a good molecular platform to induce NLO properties for Laser application and considerable laser properties can be improved by injecting suitable electron administrated substitutional groups. This work is an attempt to make laser properties enhancement by increasing Cd solvent concentration on L-Valine compound. The recorded XRD peaks addressed the significant increment of laser properties of the composite crystal. The results obtained for pure L-Valine was; a=5.221 (Å), b=6.910 (Å) and c=4.994 (Å) and associated indices of refraction was n1=1.511, n2=1.583 and n3=1.599. The results of 2% CdSO4; a=5.580 (Å), b=7.011 (Å) and c=5.091 (Å) and associated indices of refraction was n1=1.561, n2=1.612 and n3=1.633. For 5% CdSO4; a=5.599 (Å), b=7.831 (Å) and c=5.659 (Å) and associated indices of refraction was n1=1.588, n2=1.661 and n3=1.699. For 10 % CdSO4; a=5.592 (Å), b=7.612 (Å) and c=5.822 (Å) and associated indices of refraction was n1=1.661, n2=1.693 and n3=1.593. For 15 % CdSO4; a=5.551 (Å), b=6.332 (Å) and c=4.734 (Å) and associated indices of refraction was n1=1.501, n2=1.599 and n3=1.593. The non linear refractive index was changed from 3.891 X 10-8 cm2/W to 4.231 X 10-8 cm2/W for 2%, 5%, 10% respectively and Third order non linear optical susceptibility (χ(3)) was ranged from 4.621X10‑6 esu to 5.091X10‑6 esu. The restored chemical potential for non linear optical (NLO) and birefringence properties was found to be improved. The scattering capability of homo nuclear and hetero nuclear bonds along with the CdSO4 voids was identified for attaining non linear scattering process.

Conversion of preferred crystalline orientation by annealing and its impacts on the structural, electronic, and optical properties of pulsed laser-deposited CdO thin films

The impact of annealing on the preferred crystalline orientation as well as the structural, electronic, and optical properties of pulsed laser-deposited 150 ± 3 nm thick cadmium oxide (CdO) films was studied. X-ray diffraction analysis revealed that the annealed CdO films have smaller crystallite sizes, as their molecules at the grain boundaries possessed enough kinetic energy to rearrange their preferred crystalline orientation between (111) and (200). The atomic force microscopy and field emission scanning electron microscopy analyses revealed an enhancement in the active surface area with optimized grain boundaries by annealing which facilitates gas adsorption/desorption. DC electrical conductivity depends on the annealing process and reveals two different conduction mechanisms. The direct optical energy gap was decreased from 3.41 eV to 2.76 eV by annealing at 473 K which is greater than the theoretical value, i.e. 2.2 eV, for bulk CdO. The findings agree with the Burstein-Moss effect as a result of the increased carrier concentration following the generation of numerous oxygen vacancy sites and Cd interstitials. However, mutual charge carrier-impurity interaction and charge carrier Columb interaction contributed to narrowing the band gap by increasing the annealing temperature. The enhanced values of Urbach energy, optical packing density, dispersion parameters, optical conductivity, dissipation factor, oscillator strength, and lattice dielectric constant supported the effectiveness of the annealing process on tailoring optoelectronic responses in the infrared region for the CdO thin films for use in optoelectronic devices. Moreover, the calculated linear optical susceptibility, and nonlinear constants (i.e. third-order optical susceptibility and nonlinear refractive index) were the highest for CdO films annealed at 473 K. The improved value of the figure of merit, solar material protection factor, and solar skin protection factor for the CdO films, annealed at 473 K supports its use in several photovoltaic applications, including solar cells.

Peculiarities of the intrinsic symmetry of linear and nonlinear optical susceptibility tensors in nonabsorbing inhomogeneous media with nonlocality of optical response

We show that using the Landau–Lifshitz form of the constitutive equations to construct electrodynamics of inhomogeneous nonabsorbing media with nonlocality of optical response leads to previously unknown intrinsic symmetry relations of the spatially dependent tensors of local and nonlocal optical susceptibilities guaranteeing that the energy conservation law is fulfilled. The discovered relations drastically differ from the analogous relations for homogeneous spatially dispersive media and make it possible to correctly write down the balance equation for the energy conservation law in inhomogeneous media with nonlocality of optical response without the previously accepted artificial addition of any new terms to the classical constitutive equations suggested by Landau and Lifshitz.

Influence of the rate of flow of argon on the optical properties of the MnSmO3 films prepared by magnetron sputtering technique

MnSmO3 thin films were deposited by radio frequency magnetron sputtering method with pure argon flow rate (20, 30, 45, 50, and 60 sccm). The crystalline and morphological structures of MnSmO3 thin films were examined using X-ray diffraction and scanning electron microscopy revealing amorphous nature. Optical properties MnSmO3 thin films showed direct transition and normal dispersion of the refractive index at all rate of flow. The optical energy gap decreased with increasing the rate of flow, whereas the plasma behaved contrary to that of the optical gap. The dispersion energies deduced from Drude models are found to be larger than that of the single-oscillator energies. Non-linear refractive index is found to decrease with increasing the rate of flow. The linear and non-linear optical susceptibilities showed a tendency of decreasing with increasing the rate of flow.

Structural, linear/non-linear optical, and optoelectrical properties of PVB/Bi2WO6 nanocomposite for industrial applications

Nanocomposite films composed of polyvinyl butyral (PVB) and Bi2WO6 were produced through solution casting. The goal of this investigation was to examine the effects of different Bi2WO6 concentrations (0%, 2%, and 4% wt.) on the linear/non-linear optical and optoelectrical properties, as well as the structure and dispersion of films of PVB/Bi2WO6 nanocomposite. The direct band gap Eg1 value falls from 5.1 eV to 3.83 eV with the progressive increase in Bi2WO6 content from 0% to 4% wt., while indirect band gap Eg2 decreased from 4.1 eV to 2.89 eV. Conversely, the PVB + 4% Bi2WO6 nanocomposite increased Urbach’s energy (EU) from 1.00 eV for pure PVB to 1.97 eV. Moreover, our research has documented the impact of different concentrations of Bi2WO6 on a range of optical properties, including the refractive index ( n), extinction coefficient ( k), and other pertinent parameters. Utilizing the real and imaginary components of the dielectric constants εr and εi, an investigation was carried out into the dielectrics’ behavior and the optoelectrical parameters’ calculation. Furthermore, investigations were performed on the linear optical susceptibility, the non-linear refractive index, and the third-order non-linear optical susceptibility concerning the concentrations of Bi2WO6. In addition, the results indicated that varying Bi2WO6 concentrations substantially affect the oscillator strength, average oscillator wavelength, and optical conductivity. The nanocomposite films of PVB/Bi2WO6 concentrations exhibited favorable associations between their optoelectrical and non-linear/linear optical parameters, rendering them viable candidates for implementation in flexible electronic devices and radiation shielding.

Novel schiff base-azide metal complexes: Synthesis, spectral, nonlinear optics, and DFT studies

In order to enhance nonlinear optics (NLO)-based technologies, current research focuses on the design and synthesis of coordination materials. In this context, to investigate spectral and theoretical linear optical (LO)/nonlinear optical (NLO) behaviors, novel metal complexes including azide {[Mn (L1)2(N3)2], (9), [Ni(L1)2(N3)], (10), [Co2(L1)2(N3)2]⋅2H2O, (11); L1: N-(pyridin-2-ylmethylene)methanamine} were synthesized. The vibrational and electronic spectral features of complexes 9–11 were investigated by UV–Vis and FT–IR spectra. Depending on the central metal ion and coordination geometries of complexes, the microscopic static nonlinear behaviors were examined by using the CAM-B3LYP/and ωB97XD/6–311 + G (d,p)//LanL2DZ levels of density functional theory (DFT). Furthermore, the vibrational and electronic properties of complexes 9–11 based on the same levels of time-dependent/density functional theory (TD-DFT/DFT) were surveyed. Additionally, the theoretical χ(1), χ(2), and χ(3) parameters, known as linear optical, second-, and third-order nonlinear optical susceptibility tensors, as well as linear, second-, and third-order polarization parameters (P(1), P(2), and P(3)) for complexes 9–11 were examined. The greatest <β(0; 0,0)> value for complex 10 found to be 262.55 × 10−30 esu using CAM-B3LYP level is 820.5 and 2019.6 times higher than the urea findings (0.32 × 10−30 esu and 0.130 × 10−30 esu). The <γ(0; 0,0,0)> results indicate that complex 9 having the highest value obtained at 2216.40 × 10−36 esu using CAM-B3LYP level is 47.76 and 316.63 times greater than those of pNA (15 × 10−36 esu) and urea (7 × 10−36 esu), respectively. Complexes 10 and 9 demonstrated promising microscopic second-order and third-order NLO features, respectively. Our research is anticipated to provide insight into NLO materials that may have applications in optoelectronics and telecommunication field.

Characterizing the properties of Li2O–B2O3–SiO2– P2O5–TiO2 glasses: A multidimensional investigation of their structure, optical properties, and gamma-ray shielding capability

A series of lithium borophosphosilicate glass doped with TiO2 was produced with melt-quenching procedure with empirical formula (20-x) Li2O–40B2O3–20SiO2– 20P2O5–xTiO2, where x can be changed between 0 and 16 mol%. By adding titanate, the bulk density of BSPLT glass increased from 3.61 to 4.812 g/cm3. The amorphous nature of glasses is demonstrated by XRD analysis. Different optical characteristics, including the refractive index and optical band gap (Eopt), were determined by recording optical absorption spectra in the 250–2500 nm range. The observed range (Eopt) values from 3.09 eV to 2.64 eV suggests that the (Eopt) decreases as the content of TiO2 in the BSPLT samples increases. The linear optical susceptibility χ(1), third-order non-linear optical susceptibility (χ(3)), and the non-linear refractive index (n2) were determined. Higher-density glasses provide more effective radiation shielding because they are better at absorbing and slowing down radiation particles. BSPLT-16 glass exhibits the highest FNRCS value among the samples tested, indicating its superior performance in shielding against fast neutrons. It is noted that the BSPLT-16 sample, has the highest density among the glasses tested, shows the greatest effective for radiation shielding applications according to the results.

Effects of gamma radiation on the optical properties of ultrafine iron particle/polystyrene composites

The present research studied the influence of gamma radiation doses on the optical properties and parameters of the tested composite samples consisting of polystyrene polymer as a matrix filled with different concentrations of ultrafine iron particles (0, 10, 20, and 30 wt.%) with an average thickness of 2 µm. Using a UV-1800 Shimadzu spectrophotometer, the optical absorbance and transmittance values of the tested composite samples were measured at room temperature in the wavelength range of 200–800 nm. Optical parameters such as the excitation energy for electronic transitions, optical energy gap, dispersion energy, static dielectric constant, static refractive index, moments of the optical spectrum, optical oscillator strengths, linear optical susceptibility, third-order nonlinear optical susceptibility, carrier concentration to the effective mass ratio, high-frequency dielectric constant, nonlinear refractive index, plasma frequency and long wavelength refractive index were calculated and discussed at different doses of gamma radiation (1, 2, and 6 kGy). The results demonstrate that the optical properties and parameters of the gamma-irradiated composites vary with increasing gamma doses. This variation in values was observed after increased irradiation due to enhanced metal–polymer bonding and due to an increase in the density of the free charges within the metal polymer composites.

Effect of zirconium oxide nanoparticles on thermal, optical, and radiation shielding properties of Bi2O3-B2O3-MnO2 glasses

This study has explored the DSC, UV–Vis absorption spectroscopy, gamma ray and neutron shielding properties of Bi2O3-B2O3-MnO2: ZrO2 glasses. It demonstrates a unique approach to photon shielding analysis using JENDL/PD-2016 photonuclear data and employs a validated spherical neutron model for neutron shielding. Five transparent glasses were prepared with the chemical composition (in mol%) of 29Bi2O3-70B2O3-(1-x)MnO2: xZrO2, and labeled as MZ0.00 (for x = 0), MZ0.25 (for x = 0.25), MZ0.50 (for x = 0.5), MZ0.75 (for x = 0.75) and MZ1.00 (for x = 1). The glass ceramic nature of the samples has been characterized by DTA thermograms. The glass forming ability parameters (Kgl, S & H) were found to be highest for the sample MZ1.00. The UV–Visible optical absorption spectra have been interpreted, and hence the cut-off wavelength (λcut-off) and optical band gap (Eo) were evaluated. The absorption spectra have revealed the co-existence of manganese ions in three stable valence states Mn4+, Mn3+ and Mn2+ in the samples. When ZrO2 nanoparticles were added in the composition up to x = 0.50 mol%, the red shift in the cut-off wavelength (λcut-off) with gradual shrinkage in optical band gap (Eo) has been observed. Also, the linear and non-linear optical parameters viz., refractive index (no), non-linear refractive index (n2), linear optical susceptibility (χ(1)) and non-linear optical susceptibility (χ(3)) have been evaluated. These parameters showcased that B-O, Bi-O, Mn-O, Zr-O, etc. bonds could be strengthened by subsequent reduction of polarization of the trivalent ions (B3+ ions, Bi3+ ions and Mn3+ ions) in the glass system at higher concentrations of ZrO2. Photoatomic and photonuclear attenuation studies portrayed that the sample MZ0.50 has the lowest photon shielding capability. The fast neutron effective removal cross section (ΣR) was observed to be the highest for the sample MZ1.00. Thus, these glasses can be used to design the thermally stable transparent glasses, tunable optical elements, and radiation shielding materials.

Tailoring the linear and nonlinear optical properties of PVC/PE blend polymer by insertion the spindle copper nanoparticles

PVC/PE polymer nanocomposites were synthesized with 0–3 wt% copper (Cu) nanoparticles via melt extrusion. XRD analysis showed characteristic peaks corresponding to crystalline PVC, PE, and Cu phases. FTIR confirmed the presence of signature vibrational modes of PVC and PE. Optical studies revealed tunable light absorption, refractive index, dielectric response, and bandgap by tailoring copper content. The composites displayed enhanced linear and nonlinear optical susceptibilities, with potential applications in photonics. Optical absorption studies revealed a redshift in bandgap from 3.38 eV to 2.19 eV as Cu concentration increased from 0 to 3%, indicating enhanced visible light absorption. The real dielectric constant rose from 1.3527 to 1.4578 at 190 nm wavelength when Cu content was raised from 0 to 3%. Imaginary dielectric constant exhibited a stepwise enhancement from 2.43 × 10−3 to 3.97 × 10−3 at 190 nm with increasing Cu loading up to 3 %. The nonlinear refractive index varied from 1.2 × 10−8 cm2/W to 2.1 × 10−8 cm2/W across 500–900 nm wavelengths for 0–3% Cu. Meanwhile, the dispersion parameters including, the single oscillator energy (Eo) and the dispersion energy (Ed) were extracted. The relaxation time of the studied samples were extracted, which decreased after the insertion the nanofillers. The outcomes revealed that Cu nanoparticles' doped films favor a high-speed optoelectronic device more than the pristine film.The results demonstrate tunable optical and dielectric characteristics, underscoring the potential of Cu-based PVC/PE nanocomposites.

Study of Conditional Glass Formers (II) on Basics of Optical Electronegativity

Concept of Electronegativity is used by so many researchers to calculate Refractive index Band energy, Dielectric constant, Metallization criterion, Basicity, Oxide ion polarizability, Bond ionicity, Third order non-linear optical susceptibility to study the so many glass systems. Here the concept of optical electronegativity is used to study these parameters for conditional glass formers refer as (II) of group V(A,B) and VI(A,B). They are Ta2O5, Nb2O5, V2O5, Cr2O3, Bi2O3, TeO2, MoO3, As2O3, WO3, Se2O3. It is observed that on decreasing the values of optical electronegativity, optical band energy, metallization criterion, and bond iconicity decreases; and optical dielectric constant, optical basicity, oxide ion polarizability refractive index, third order non linear optical susceptibility increases. All conditional glass forming oxides (II) are according to Pauling's packing rule, Goldschmidt radius ratio rule, Zachariasen's random network theory and rules for formation of glass and Sun’s single bond strength theory. For Conditional glass formers (II) radius ratio rc/ra = 0.250-0.492, [except Bi2O3 (0.75) &amp; TeO2 (0.87)] and single bond strength greater than 90 Kcal/mol. According to Sun’s, high bond strength oxides are not good glass formers because they themselves do not forms glass; but when they forms small ring in the melt of these materials which would result in easy crystallization. Key Words: Refractive index Band energy, Dielectric constant, Metallization criterion, Basicity, Oxide ion polarizability, Bond ionicity, Third order non-liner optical susceptibility.

STUDY OF GLASS FORMERS ON BASICS OF OPTICAL ELECTRONEGATIVITY

Concept of electronegativity is used by so many researchers to study Refractive index, Band energy, Dielectric constant, Metallization criterion, Basicity, Oxide ion polarizability, Bond ionicity, Third order non-linear optical susceptibility to study so many glass systems. Here the concept of optical electronegativity is used to study these parameters in glass formers. It is observed that on decreasing the values of optical electronegativity; optical band energy, metallization criterion, and bond ionicity decreases; where as optical dielectric constant, optical basicity, oxide ion polarizability refractive index and third order non linear optical susceptibility increases. All glass forming oxides are according to Pauling's packing rule, Goldschmidt radius ratio rule, Zachariasen's random network theory and rules for formation of glass and Sun’s single bond strength theory. For glass formers radius ratio rc/ra = 0.14-0.40, [except P2O5] and single bond strength greater than 90 Kcal/mol. Key Words: Band energy, Basicity, Optical dielectric constant, Oxide ion polarizability, Refractive index.

Electrochemical synthesis of a novel hybrid nanocomposite based on Co3O4 nanoparticles embedded in PANI- camphor sulfonic Acid matrix for optoelectronic applications

In this study, we report on the preparation and characterization of Co3O4 nanoparticles (NPs) embedded in polyaniline-Camphor Sulfonic Acid (PANI-CSA) polymer matrix via electrochemical polymerization method. Developing conductive organic films with tunable optical properties are crucial for many novel optoelectronic applications. Thus, incorporation of metallic oxide nanoparticles (Co3O4 NPs) into polymer matrix (PANI-CSA) represents an alternative approach to address these desired features. As a result of careful optimization of several growth conditions, PANI-CSA/Co3O4 hybrid nanocomposites with high crystalline and homogeneous structures were successfully synthesized on ITO substrates. The impact of Co3O4 NPs concentrations on the structural and optical properties has been extensively investigated. A variety of structural and optical techniques, including FTIR, UV-VIS spectroscopy, and XRD, were employed to characterize the prepared hybrid nanocomposites. The initial findings and analysis reveal that the integration of Co3O4 NPs into PANI-CSA matrix have a trifunctional role in reducing π-polaron and Urbach energies (EU) whereas increasing π-π* band gaps. A further increase in NPs concentration up to 12 wt % results in continuous increase in the absorbance bands and absorption coefficients, indicating improved optical properties as compared to the control sample (PANI-CSA without NPs). The observed redshifts in absorbance band positions are attributed to narrowing of the optical band gap caused by interactions between PANI-CSA chains and Co3O4 NPs. FTIR spectra confirmed the exact chemical composition of PANI-CSA/Co3O4 nanocomposites, exhibiting broadened and less intense peaks compared to the control sample, indicating their interaction at the molecular levels. Additionally, XRD measurements indicate that no peaks of other phases were detected in all nanocomposites, demonstrating their purity and crystallinity. Finally, A single oscillator model by Wemple-DiDomenico (WDD) coupled with a Sellmeier dispersion relation based on one term has been utilized to model the typical electronic transition excitation energies, dispersion energies, optical conductivities, and many other optical desperation parameters for PANI-CSA and PANI-CSA/Co3O4 at various concentrations. For instance, in response to increased NPs content, linear optical susceptibility, third-order nonlinear optical susceptibility, and nonlinear refractive index decrease. In contrast, the ratio of free carriers to effective mass (N/m) increased from 4.73 × 1039 to 4.91 × 1039 m−3 kg−1 with increasing NPs concentration. Based on the observed results, these hybrid nanocomposites possess improved properties, indicating their potential use as active materials in a variety of novel optoelectronic applications.

Study of Conditional Glass Formers (I) on Basics of Optical Electronegativity

Concept of Electronegativity is used by so many researchers to calculate Refractive index, Band energy, Dielectric constant, Metallization criterion, Basicity, Oxide ion polarizability, Bond ionicity, Third order non-linear optical susceptibility to study the so many glass systems. Here the concept of optical electronegativity is used to study these parameters for conditional glass formers referred as (1) taken from group III (A,B) and IV (A,B); they are Y2O3, HfO2, ZrO2, Sc2O3, TiO2, Al2O3, In2O3, Ga2O3, and SnO2. It is observed that optical band energy, metallization criterion, and bond iconicity decreases; and optical dielectric constant, optical basicity, oxide ion polarizability refractive index and third order non linear optical susceptibility increases. All conditional glass formers (I) oxides are according to Pauling's packing rule, Goldschmidt radius ratio rule, Zachariasen's random network theory, rules for formation of glass and Sun’s single bond strength theory. For conditional glass formers (I) radius ratio rc/ra = 0.40-0.75 and single bond strength greater than 90 Kcal/mol. According to Sun’s, high bond strength oxides are not good glass formers because they themselves do not forms glass; but when they forms small ring in the melt of these materials which result in easy crystallization. Key Words: Refractive index Band energy, Dielectric constant, Metallization criterion, Basicity, Oxide ion polarizability, Bond ionicity, Third order non-liner optical susceptibility.

Gamma irradiation-induced changes in structural, linear/nonlinear optical, and optoelectrical properties of PVB/BiVO4 nanocomposite for organic electronic devices

Herein, nanocomposite films based on polyvinyl butyral (PVB) and BiVO4 plates were synthesized through solution casting. The present study aims to investigate the impact of varying doses of gamma irradiation (0, 15, 30, 60, and 90 kGy) on the structural, dispersion, linear/nonlinear optical, and optoelectrical properties of PVB/BiVO4 nanocomposite films. The effects of gamma irradiation on various optical characteristics, such as refractive index (n), extinction coefficient (k), and other related parameters, have been observed. The study of dielectric behavior and the derivation of optoelectrical parameters, including high-frequency dielectric constant (ε∞), plasma frequency (ωP), relaxation time (τ), and optical mobility (µopt.), were conducted using the real and imaginary parts of the dielectric constants εr and εi. In addition, the linear optical susceptibility (χ(1)), the third-order nonlinear optical susceptibility (χ(3)), and the nonlinear refractive index (n2) were studied as a function of gamma irradiation doses. Furthermore, the results demonstrate that the average oscillator wavelength (λ0) values, oscillator strength (S0), and optical conductivity (σopt) vary significantly after gamma radiation treatment. Overall, the strong correlations between the linear/nonlinear optical and optoelectrical parameters of the irradiated PVB/BiVO4 nanocomposite films make them suitable for application in flexible organic electronic devices.

Determination of optical constants via the single oscillator Drude-Voigt dispersion model in fluoroborate glass for optical lenses: Nonlinear optical properties

In this work, a new fluoroborate (B2O3+AlF3+NaF + CaF2) glass has been fabricated using the melt-quenching technique. Glass sample has been characterized via X-ray diffraction, scanning electron microscope, and optical spectrophotometric measurements for absorption, transmission, and reflection in the range of 350–750 nm. The optical absorption of this transparent glass is used to determine the absorption coefficients, which are then used to estimate the extinction coefficients. The refractive indices as a function of wavelengths are estimated using extinction coefficients and reflectance data of fluoroborate glass. Very important parameters such as density, molar volume, and molar polarizability have been extensively studied. Using these data, fundamental optical parameters such as average oscillator strength (6.42) and inherent absorption wavelength (119 nm) are evaluated using the Drude-Voigt single oscillator model. Compared with previously studied oxide-based glasses, the fluoroborate glass possesses a relatively high refractive index of 1.74 and an Abbe number of 49 in the visible region of 587.6 nm. The relationship between inherent absorption wavelength and Abbe number values is also discussed. Moreover, the values of refractive index and linear optical susceptibility are used to evaluate the third-order optical susceptibility (11.56 × 10−14 esu) and nonlinear refractive index (2.50 × 10−12 esu). These results suggest that fluoroborate glass is a potential material for optical lenses and nonlinear devices in the visible range.

First principle study to investigate color tunable properties in Bi3+, Tb3+, and Yb3+ doped GdVO4 phosphor

Gadolinium Vanadate (GdVO4) is a luminescent material widely utilized in the production of blue LEDs, owing to its adjustable optical characteristics. By employing density functional theory (DFT) and the EVGGA method, we investigated the impact of doping on the structural, electrical, and optical properties of GdVO4, focusing on Bi, Tb, and Yb doping. Through optimization of the total energy with respect to the unit cell volume, we determined the relaxed structure's electronic properties using the optimized lattice constant. An in-depth analysis of the electronic density of state (DOS), band structure, and linear optical susceptibility revealed a close correlation between the optical dispersion of dielectric susceptibility and the electronic structure, aligning with experimental observations. The color emissions are obtained under single wavelength excitation due to the high overlapping between the VO4 absorption and the π–π* electron transition of the ligands. These findings offer valuable insights into the characteristics of GdVO4 and its doped derivatives, facilitating the development of more efficient phosphor materials for application in photoluminescence and pc-LEDs.

Large third-order nonlinear susceptibility of newly synthesized 3-amino-1H-1,2,4-triazolium p-toluene sulfonate (TPTSA) single crystal measured by the open and closed aperture of the Z-scan technique

The researchers employed the Slow Evaporation Solution Technique (SEST) to grow a third-order nonlinear optical 3-amino-1H-1,2,4-triazolium p-toluene sulfonate (TPTSA) crystal and subsequently conducted an X-ray structural examination. The resulting solution's monoclinic structure (P21/c space group) was confirmed and refined using the SHELXS 2018/3 program, and this marks the first instance of a TPTSA single-crystal structure being reported. To further investigate the optical qualities of the TPTSA crystals, including reflectance (R), bandgap (Eg), refractive index (n), and extinction coefficient (K), we utilized a UV–Vis–NIR spectrophotometer, which demonstrated a transmittance of 82%. Moreover, photoluminescence spectrum analysis revealed that the crystal emits light at 294 and 471 nm. Thermal properties of the TPTSA single crystals were also studied, and it was determined that TPTSA remains stable up to 197 °C. A Hirshfeld surface study showed various inter and intra molecular interactions within the TPTSA compound. Based on the crystal's Z-scan parameters, such as absorption coefficient (β = 1.02412 × 10−4 m/W), nonlinear refractive index (n2 = 9.7348 × 10−12 m2/W), and third-order linear optical susceptibility (χ3) of TPTSA, which was found to be 3 × 10−8 esu, it is evident that the nonlinear properties of this crystal make it suitable for third harmonic generation applications. The comprehensive structural analysis and physical characteristics of the TPTSA crystal demonstrate its potential for applications in harmonic generation.