Single Oscillator Energy Research Articles

Changes in optical and sensing properties of 26DCzPPy WOLED material for different molarities

In here, changes in sensing and optical properties of 26DCzPPy WOLED material for different molarities were deeply investigated. It was found electrical conductance of 26DCzPPy is increasing with increasing molarity. Also, it has been concluded that the electrical conductance of the material is higher than the optical conductance of the material. The refractive index value of the material varied from 1.88 to 2.03 at 340 nm. The single oscillator energy of the material was found to be 3.78 eV and the dispersion energy of our material was found as 0.82 eV using the single oscillator theory. Furthermore, (αi) molar polarizability of our material was found to be $$1.7081 \times 10^{ - 17} {\text{cm}}^{ - 3}$$ for 83 mM from the theory of Clausius–Mossotti local field polarizability. The lowest contrast value (measuring of sensitivity) of the material was obtained at 83 mM, while the highest value was obtained at 747 mM. It was inferred that an increase in molarity gives rise to a decrease in the refraction angle of the material. Optical band gap (direct-allowed) energies of the material varied from 3.57 eV to 3.52 eV, shows a decreasing trend with increasing molarity. It was obtained that the three peaks of electric susceptibility of the material to be 0.72, 0.74, and 0.75, shows an increasing trend with increasing molarity. Consequently, the key optical and sensitivity properties of the material were determined and discussed depending on different molarity.

Photo-darkening phenomenon as a result of light impact on InSe4 film

The recent work is to investigate the effect of exposure time on the optical constants of InSe4 film extracted from the transmittance and the reflectance data in the spectral range from 500 to 2500 nm. The crystallinty of InSe4 film is increased by illumination. The micro strain and dislocation density are calculated as 55 × 10−3 lin-2. m-4 and 1.98 × 1018 lin/m2, respectively. The peaks of coloration are appeared in the samples exposed to light and the color centers concentration was estimated, by using Smakula's equation, as 8.7 × 1017 cm-3 for samples illuminated 0.5 h and increases to 68.51 × 1017 cm-3 for samples illuminated 2 h. The estimated energy gap was found to be 1.89 eV and decreases to 1.70 eV with rising exposure time confirmed photo-darkening phenomenon is dominant in InSe4 film. The refractive index of the film was examined with Cauchy and Wemple-Didomenico, WDD, formulas. The single-oscillator energy and the dispersion energy were estimated as well as the optical conductivity of the InSe4 film.

Influence of samarium ions on the structural, and optical properties of unconventional bismuth glass analyzed using the Judd–Ofelt theory

Unconventional bismuth (Bi2O3) glasses containing zinc oxide (ZnO), lead oxide (PbO), and samarium oxide (Sm2O3) were prepared using a melt quenching technique. The glass density was observed to decrease as the Sm2O3 increased, from 6.881 g/cm3 for 1% Sm2O3 to 6.618 g/cm3 for 7% Sm2O3, due to the replacement of lead content density by samarium content density. Optical absorption spectra were recorded and the optical parameters, such as the optical transition, optical electronegativity, refractive index, high frequency dielectric constant, single oscillator energy, and dispersive energy were determined. The optical parameter values were correlated to the ratio of Sm2O3. The Judd–Ofelt (JO) theory was applied to the absorption spectra of the glass to predict the radiative and laser properties. The JO parameters (Ω2, Ω4, Ω6) were found to be Ω4 > Ω2 > Ω6 and related to the glass structure. These glasses were exposed to apply in photonic applications.

Optical properties and biointerface interactions of chitin

The investigation aimed to elucidate the solvent influence on the physicochemical properties of a biologically active compound, namely chitin. The higher reactivity and stability of chitin in N,N-dimethylacetamide revealed that this is a good solvent for processing optical films with biological activity. In visible range, chitin displayed a normal dispersion of refractive index, which is 1.592 at 589 nm. The use of Wemple and Didomenico model enabled the determination of several optical constants, such as single-oscillator energy for electronic transitions and the dispersion energy and refractive index at infinite wavelength. From the obtained data concerning the surface wettability, the interactions at the biointerface of chitin with blood, fibroblasts, and microorganisms were investigated. The spreading of these biological media on chitin showed that in most cases, the cohesive interaction overcomes the adhesion ones. This is most suitable for fabrication of biomedical instrumentation with antimicrobial properties.

Extraction of thickness, linear and nonlinear optical parameters of Ge20+Se80- thin films at normal and slightly inclined light for optoelectronic devices

In this framework, a novel Ge20+xSe80-x thin films ~890 nm, with (x = 5, 10, 15, 20, 25, and 30 at. %) were synthesized via thermally evaporation method at 298 K. The elemental ratios of Ge–Se thin films have been checked by EDX analysis and also the amorphous natural was confirmed through X-Ray Diffractometer, XRD. In thin films belonging to the glass chalcogenide, in the case of existence of interference in the optical measurements-namely, transmittance, T and reflectance, R spectra-often the dispersion refractive index, n(λ) and the thickness of the thin film, d were computed based on the spectrum of transmittance or reflectance and also the wavelength along with the optical measurements. In this work, the real optical constant n(λ) and film's thickness of Ge–Se thin films have been computed utilizing the wavelength measurements of the normal and slightly inclined incidence light solely. Then, the linear optical parameters such as Tauc's energy Eg and Urbach's energy Ee, the linear imaginary optical constant, namely, absorption index or extinction coefficient kex, the linear dispersion parameters, namely, the single oscillator energy Eo and the dispersion energy Ed and the non-linear optical constant or so called the second-order of refractive index n2 have been determined. The optical dispersion dndλ, phase velocity vp, group velocity Ug, Magneto-Optical Constant or Verdet coefficient V(λ) and the positions of the energy levels have been discussed in detail.

Solvent effects on optical properties of 26DCzPPy material

Solvent effects on changes in optical and some electrical properties of 26DCzPPy WOLEDs material were studied. The highest optical conductance of the material was obtained at the DCM solvent, while the lowest optical conductance of the material was obtained at the THF solvent. In addition, it was found that the electrical conductance of the 26DCzPPy is higher than the optical conductance of the material. At 340 nm wavelength, the refractive index peak value of the material varied from 2.8 to 3.5. The single oscillator energy of 26DCzPPy was found to be 2.727 eV and dispersion energy of the material was found to be 0.207 eV for THF solvent. In addition, (αj) molar polarizability of the material was calculated as 5.909×10-24 cm-3 using the theory of Clausius Mossotti local field polarizability. It was observed that the contrast value of 26DCzPPy material was changing with various solvents. It was found that the refraction angle of our material decreases from ∼40 ° to ∼15 ° for all solvents at the range of 3.48–3.62 eV. The highest optical band gap (direct-allowed) energy of the 26DCzPPy material was found at CHCI3, while the lowest optical band gap (direct-allowed) energy of the 26DCzPPy material was found at THF solvent. The molar extinction coefficient peak values varied from ∼1.3×10-5 to ∼1.8×10-5 L mol-1cm-1 for CHCI3, DCM, and THF solvents, respectively, showing a decreasing trend for various solvents. As a result; crucial optical and some electrical properties of 26DCzPPy material were obtained and discussed depending on the different solvent.

Structural, electrochemical and optical properties of 1,2,4-triazine derivative

Structural, optical and electrochemical properties of 4-amino-3-mercapto-6-(2-(2-thienyl)vinyl)-1,2,4-triazin-5(4H)-one donor (AMT) in powder and thin film forms are studied. The thermogravimetric curves (TGA and DTA) of AMT solid powder are performed for recognizing its thermal stability and thermal degradation kinetics. Integral method using Coats–Redfern and Horowitz–Metzger equations are applied in the dynamic thermal data analysis. The electrochemical reduction and oxidation potential of AMT organic material are investigated. AMT solid powder are characterized by means of optically diffused reflectance spectroscopy (DRS) based on the Kubelka–Munk model. Field emission scanning electron microscope image is characterized by the formation of nanostructure shape with average particle size 70 nm. The optical features of the AMT organic thin films are characterized by UV–Vis–NIR spectroscopy, Photoluminescence spectroscopy (PL) and Fourier transform infrared (FT-IR) spectroscopy. The optical properties such as absorption coefficient, optical gaps, refractive index, single effective oscillator energy (Eo) and dispersion energy (Ed) of the AMT organic thin films are estimated.

Synthesis, structural, optical and dispersion parameters of La-doped spinel zinc ferrites ZnFe2-xLaxO4 (x = 0.00, 0.001, 0.005, 0.01 and 0.015)

We investigate the structural and optical properties of ZnFe2-xLaxO4 spinel ferrite (0 ≤ x ≤ 0.015) prepared using sol-gel route. The lattice parameter increases and the crystallite size decreases by La3+ replacements as was demonstrated by X-ray diffraction. UV–visible spectroscopy was used to study the optical properties. The optical band gap increases from 1.8714 to 1.9557 eV, with the increase in La3+ concentration up to x = 0.015. On the contrary, Urbach energy (band tail width), EU was found to be decreased from 0.6027 to 0.4247 eV. In addition, different optical parameters were extracted and associated with the change of La amount such as the absorption coefficient, refractive index, the extinction coefficient, real and imaginary dielectric constant, conductivity optical and electrical conductivity. Finally, the dependency of the refractive index to the wavelength was fitted to Wemple-DiDomenico single oscillator model and the parameters like dispersion energy, single oscillator energy, oscillator length strength, and average oscillator wavelength were also determined.

Structure and optical properties of thermally evaporated Te doped ZnSe thin films

The cooled pressing method is used for preparing (ZnSe)1−xTex chalcogenide glasses. The thermal evaporation technique is utilized for depositing the thin films. Topological calculations reveal the obvious effect of doping Te content on the average coordination number Z, parameter determines the deviation from stoichiometry r, glass transition temperature Tg, number of lone-pair electrons L and heat of atomization Hs. Swanepoel's approach is used to estimate the refractive index and the average thickness of the films with high accuracy. The addition of tellurium as an impurity found to has a great influence on the optical parameters such as refractive index, energy band gap Eg, Urbach energy Eu, refractive index n, single oscillator energy Eo, dispersion energy Ed, free-electron concentration N, and plasma frequency, ωp.

Characterization of zinc lead-borate glasses doped with Fe3+ ions: optical, dielectric, and ac-conductivity investigations

The optical, dielectric response, and ac-conductivity properties for six glasses of zinc lead-borate doped with different contents of Fe3+ (Fe2O3 = 0 to 10 wt%) have been investigated. UV–Vis spectra in 190–1100 nm wavelength have been carried out. Band gaps for optical energy (EOptical), Urbach’s energy (EU), index of refraction (n), steepness parameter (S), energy dispersion parameter of refractive index (Ed), single-oscillator energy (Eo), the dispersion refractive index (no), minimum reflectance wavelength (λo), and oscillator strength (So) were evaluated. Results reveal that the indirect energy gap varies from 2.57 to 1.01 eV, while the direct energy gap takes values from 2.80 to 1.45 eV. The EU values change from 0.232 to 0.966 eV for glasses with Fe2O3 = 0 and 10 wt%, respectively. Also, S and λo decrease with the enhancement of Fe2O3 content. The dielectric response and ac-conductivity of the prepared glasses were investigated by broadband dielectric spectroscopy, BDS, in the frequency range from 0.1 Hz to 10 MHz and at temperatures ranging between 300 and 430 K. Two trends of activation plot have been observed in the conductivity of the samples with low content of Fe2O3. Although these samples show a perfect insulation features, they obey an anomalous behavior at higher temperatures. Therefore, the investigated glasses can be applied in several optical and optoelectronic devices.

Optical constants of ternary Cux(Ge30Se70)100-x thin films for solar cell applications

Abstract Thin amorphous films of Cux(Ge30Se70)100-x (0 ≤ x ≤ 12 at. %) have been prepared onto glass substrates by the well-known thermal evaporation technique. The refractive index (n) of the studied films was obtained using only the transmission spectra, according to Swanepoel's method, within a wavelength range of 0.4–2.5 μm. Optical dispersion parameters such as the single oscillator energy (Eo) and dispersion energy (Ed) were estimated by applying the Wemple–DiDomenico model. Values of n were used via the Connell and Lewis equation to estimate the absorption coefficient (α), which in turn used to evaluate the values of both the extinction coefficient (k) and energy gap (Eg) of the films. It was found that Eg decreases from 2.21 to 1.86 eV with an increase of the Cu content from 0 to 12 at. %. Eg values were used to get the positions of the valence and conduction bands edges of the studied films theoretically. Urbach energy, which is correlated with the structural disorder, increases by increasing the Cu content. In addition, Eo decreases, whereas Ed increases by an increase in the Cu concentration. Using n and k, the optical dielectric constants, then the optical conductivity and the dissipation factor of the studied films have been calculated.

Synthesis and characterization of bismite nano-island thin films for optoelectronic applications

Ultra-smooth thin films of bismite Bi2O3 synthesized by physical vapor deposition (PVD) have been inspected for their morphological, topographical, structural, and optical properties. Morphology and topography of the synthesized thin films were investigated by (SEM) and (AFM) and reveal a homogeneous nano-island structure with average grain size of 70 nm whereas the surface has a root mean square (RMS) roughness of 2.68 nm. The structural properties were investigated by (XRD) show the films having polycrystalline monoclinic structure of bismuth oxide. The optical properties were studied by spectrophotometer and reveal the films having narrow bandgap of 1.95 eV, the nonlinear optical constants were investigated by Wemple-DiDomenico model, the calculated values of the single-oscillator energy and the dispersion energy were found to be 4.01 eV and 23.26 eV; respectively, the third-order nonlinear susceptibility was found to be 7.72 × 10−12 esu. These characteristics show the films are good candidate for nonlinear optoelectronics and various potential applications.

Lead borate glasses and synergistic impact of lanthanum oxide additive: optical and nuclear radiation shielding behaviors

Composition of (50 − x) B2O3–30PbO–20ZnO–xLa2O3 (x = 0, 1.5, 3, 4.5, and 6) wt% glass system were synthesized using quench melt technique and simulated for their nuclear radiation shielding properties. Moreover, UV–visible absorption spectrum among 190–1100 nm and the glass optical parameters were measured. The optical energy gap (Eg), the single-oscillator energy (Eo), the dispersion energy parameter (Ed), refractive index (n), and refractive dispersion index (no) were estimated. The obtained results indicated that (Eg) was decreased with increasing La2O3 content, but the refractive index (n) was increased. The addition of La2O3 to glass network could provide preferable shielding features. The chosen amount of La and another metal oxide has been added to the glass. Shielding parameters such as half-value layer (HVL), mean free path (MFP), mass attenuation coefficient (MAC), and exposure rate in the photon energy range 15–300 keV have been simulated by MicroShield software. These results illustrate that the La5 glass sample has the best radiation shielding properties, among other investigated glasses. This type of glass sample can utilize for the construction of the monitoring screening windows in radiation areas, plats, or screening windows in X-ray diagnostic and for the walls of CT-scanner rooms.

Synthesis, DFT calculations, intermolecular interactions and third order nonlinear optical properties of new organoammonium tetrabromocadmate (II): (C5H6N2Cl)2[CdBr4]·H2O

A new hybrid compound (C5H6N2Cl)2[CdBr4]·H2O abbreviated CdACP was grown by slow evaporation from an aqueous solution at room temperature. The compound was characterized by single crystal X-ray diffraction, FTIR and Raman spectroscopies. The structural study proved that this compound crystallizes in a triclinic unit-cell with space group P1¯. To investigate the crystal packing, the structure has been analyzed using the Hirshfeld surface approach. Electronic behavior was analyzed using HOMO–LUMO analysis by density functional theory (DFT) at (DFT/B3LYP/LanL2DZ) level and UV–Vis absorption. The linear optical and electrical parameters (complex dielectric constant and optical and electrical conductivities) of our compound were analyzed using UV–Vis–NIR diffuse reflectance spectroscopy. The higher magnitude of optical conductivity of order 109 s−1 confirms the usefulness of the crystal’s photo response for information processing devices. The direct and indirect band gap values were found to be 4 and 3.8 eV, respectively, which are wide enough to exploit the CdACP crystal for optoelectronics device applications. The dispersion parameters (static refractive index, single oscillator energy (E0) and dispersion energy (Ed)) were discussed using theoretical Wemple Di-Domenico (WDD) model. The third order nonlinear parameters were investigated using empirical approximations. The sufficient transparency in the visible region, low cut off wave length and the higher values of nonlinear susceptibility χ(3) and nonlinear refractive index n2 make the title crystal suitable for third order NLO applications.

Direct influence of La on structure, optical and gamma-ray shielding properties of lead borate glasses

Lanthanum lead-borate glasses with chemical formula (50B2O3–10ZnO – (40-x)PbO) + x La2O3 wt% where (x = 0, 0.25, 0.5, 1, 1.75 and 2.5) have been prepared by the conventional melting method. FTIR measurements for the produced glasses in 4000–400 cm−1 and UV–vis spectra in 190–1100 nm wavelength have been carried out. Optical energy gap and index of refraction for the proposed glasses were evaluated using the absorbance spectrum fitting (ASF) and derivative absorbance spectrum fitting (DASF) models. In ASF method, the optical energy band gap was varied from 2.839 to 2.442 eV, while in DASF was from 2.851 to 2.777 eV for the indirect transition. The single-oscillator energy, dispersion energy parameter for all studied glasses were calculated. Indeed, molar refractivity (RM), molar polarizability (αM), reflection loss (RL), dielectric constant (ε), optical electronegativity (Δχ*), nonlinear optical susceptibility (χ(3)), and nonlinear refraction index (n2) have been determined. The capability of using the glasses as a promise radiation shielding was examined by calculating the mass attenuation coefficient by using WinXCOM and Phy-X/PSD programs within the photon energy (0.015–15 MeV). Attractive related shielding parameters such as; half value layer, effective atomic number, and mean free path along the considered photon energy range have been evaluated. Results were compared with some heavy metal oxide (HMO) and commercial glasses. Results reflected that the investigated glasses can be developed to be applied for photonics devices and protecting against exposure to ionizing radiation.

Effect of iodine content on optical properties of chalcohalide glasses Ix(As20Se80)100-x

The effect of iodine content in Ix (As20Se80)100-x where x=0, 4, 8, 12, and 16 atomic % was studied both theoretically and experimentally. The calculated mean coordination number, cohesion energy, mean overall bonding energy, and band gap decrease with iodine content. This is correlated to the decrease of crosslinking by progressive incorporation of iodine. The impact of increasing iodine content on optical properties was studied through the analysis of a single reflection spectrum using Minkov's method. The experimentally evaluated band gap decreases from 1.7 eV to 1.41 eV in good agreement with the different estimations based on Manca's relation. The Urbach energy, related to the structural disorder, increases with the incorporation of iodine. From the measured refraction index, one deduces that the single oscillator energy decreases with iodine content while its dispersion energy increases. The nonlinear optical properties increase substantially with the incorporation of the more polarizable iodine atom.

Studying the surface morphology, optical and nonlinear optical properties of epoxy resin doped nickel nitrate film

An epoxy resin doped nickel nitrate film was prepared by a casting method. By using an optical microscopy, Image J and origin 2008 software the surface morphology of the film was obtained. UV–vis spectrophotometer were used to obtained the absorbance and transmittance data of the prepared sample. These data were used to evaluate the reflectance, the extinction coefficient, the linear refractive index, the real and imaginary parts of the dielectric constant, the linear susceptibility, the third order susceptibility, and nonlinear refractive index, of the sample. The single-oscillator Wemple–DiDomenico model was used to determine the dispersion energy and the single oscillator energy. Due to the high values ​​ of the third order susceptibility, and nonlinear refractive index shown by the sample at wavelengths range 400–900 nm, it is expected that it might be used in various optoelectronics devices.

Tuning optical properties of polyvinyl alcohol doped with different metal oxide nanoparticles

Both pure and doped polyvinyl alcohol (PVA) with 1 wt % of Fe2O3 or NiO nanoparticles (NPs) were prepared using casting method. Structural and optical properties of the pure and doped PVA were studied. X-ray diffraction reveals the semi-crystalline structure of pure PVA which contains crystalline and amorphous phases. The amorphous nature of the doped PVA was affected by doping by different NPs materials. The calculated optical band gap of pure PVA was found to be 4.9 eV and it depends on the doping with Fe2O3 or NiO NPs. Absorption coefficient, refractive index and optical conductivity were estimated for all PVA samples. The optical dispersion parameters such as single oscillator and dispersion energy were determined . Moreover, the nonlinear optical susceptibility and nonlinear refractive index were found to be doping dependent. The optical conductivity of the PVA is enhanced by a doping of 1 wt % of Fe2O3 NPs. The obtained results suggest strongly the applicability of these samples in the optoelectic applications.

Effect of annealing temperature on structural and optical properties of gallium oxide thin films deposited by RF-sputtering

We have investigated structural and optical properties of gallium oxide (Ga2O3) thin films deposited on pre-cleaned fused quartz substrates at room temperature by RF sputtering method. The as-prepared and annealed Ga2O3 thin films are characterized by X-ray diffraction, energy dispersive X-ray fluorescence, fluorescence spectrometer and a double beam spectrophotometer. The variations in optical parameters of Ga2O3 thin films before and after annealing are reported. The optical parameters such as optical band gap, photoluminescence emission peaks, refractive index, single oscillator energy, plasma frequency and dispersion energy are determined before and after annealing. The probable image on the microstructure and optical features of Ga2O3 thin films before and after annealing is constructed.

Bi2O3 effect on physical, optical, structural and radiation safety characteristics of B2O3[sbnd]Na2O-ZnO[sbnd]CaO glass system

Novel transparent glasses with nominal composition of 50B2O3 +15Na2O+15ZnO+(20−x)CaO+xBi2O3; x = 0, 5, 10, 15, and 20 were synthesized using melt quenching method. The molar volume and density of the produced glasses with boosting the substitution ratio of Bi2O3 were measured. X-ray diffraction (XRD) patterns of the glasses were obtained for confirming their amorphous structure. UV–Vis spectra of the prepared samples were detected over the range of 190–1100 nm. By using UV–Vis results, Fermi level energy (Ef), refractive index (n), optical energy gap (Eg), Urbach's energy (Eu), and optical dispersion parameters were estimated. Results exposed that the optical energy gap (Eg) and single-oscillator energy (Eo) were decreased however other parameters increased with increasing Bi2O3 content. Mass attenuation coefficient (μ/ρ), as an essential variable for photon protecting research, was attained at 0.015–15 MeV photon energies for investigated glasses. Other relevant variables that can define the photon protecting features like Mean Free Path (MFP), Half Value Layer (HVL), equivalent atomic number (Zeq), gamma-ray exposure buildup factor (EBF), energy-absorption buildup factor (EABF) were obtained for the prepared glasses. The corollaries revealed that the BCNZB20.0 glass can be a strong shield material against gamma radiation. Finally, the proficiency of proposed glasses to stop fast neutrons charged alpha and proton particles was explored utilizing effective removal cross section (ΣR) and Mass Stopping Power (MSP) parameters. The glass with 20% Bi2O3 (BCNZB20.0) addition is very effective in preventing charged and uncharged particles. The addition of Bi2O3 to the studied glass system not only improved the optical and structural features but also the nuclear radiation shielding properties.