Structure,electronic,and nonlinear optical properties of superalkaline M_(3)O(M=Li,Na)doped cyclo[18]carbon

Cyclo[18]carbon has received considerable attention thanks to its novel geometric configuration and special electronic structure.Superalkalis have low ionization energy.Doping a superalkali in cyclo[18]carbon is an effective method to improve the optical properties of the system because considerable electron transfer occurs.In this paper,the geometry,bonding properties,electronic structure,absorption spectrum,and nonlinear optical(NLO)properties of superalkaline M_(3)O(M=Li,Na)-doped cyclo[18]carbon were studied by using density functional theory.M_(3)O and the C_(18) rings are not coplanar.The C_(18) ring still exhibits alternating long and short bonds.The charge transfer between M_(3)O and C_(18) forms stable[M_(3)O]+[C_(18)]-ionic complexes.C_(18)M_(3)O(M=Li,Na)shows striking optical nonlinearity,i.e.,their first-and second-order hyperpolarizability(βvec andγ||)increase considerably atλ=1907 nm and 1460 nm.

Tuning of Optical Properties via Annealing of Bismuth Ferrite (BiFeO3) Thin Films

In this study we are reporting annealing induced optical properties of bismuth ferrite (BiFeO3) thin films deposited on glass substrate via spin coating at 5000 rpm. The structural, optical and surface morphology of BiFeO3 (BFO) thin films have been studied via X-ray diffraction (XRD), Fourier transform infrared (FT-IR), Optical absorption (UV-Vis) and Photoluminescence (PL) spectroscopy. XRD spectra confirm annealing induced phase formation of BiFeO3 possessing a rhombohedral R3c structure. The films are dense and without cracks, although the presence of porosity in BFO/glass was observed. Moreover, optical absorption spectra indicate annealing induced effect on the energy band structure in comparison to pristine BiFeO3. It is observed that annealing effect shows an intense shift in the UV-Vis spectra as diffuse absorption together with the variation in the optical band gap. The evaluated optical band gap values are approximately equal to the bulk band gap value of BiFeO3.

Contribution of Satellite Observations in the Optical and Microphysical Characterization of Aerosols in Burkina Faso, West Africa

In this work, we proceed to an optical and microphysical analysis of the observations reversed by the MODIS, SeaWiFS, MISR and OMI sensors with the aim of proposing the best-adapted airborne sensor for better monitoring of aerosols in Burkina Faso. To this end, a comparison of AOD between satellite observations and in situ measurements at the Ouagadougou site reveals an underestimation of AERONET AOD except for OMI which overestimates them. Also, an inter-comparison done based on the linear regression line representation shows the correlation between the aerosol models incorporated in the airborne sensor inversion algorithms and the aerosol population probed. This can be seen through the correlation coefficients R which are 0.84, 0.64, 0.55 and 0.054 for MODIS, SeaWiFS, MISR and OMI respectively. Furthermore, an optical analysis of aerosols in Burkina Faso by the MODIS sensor from 2001 to 2016 indicates a large spatial and temporal variability of particles strongly dominated by desert dust. This is corroborated by the annual and seasonal cycles of the AOD at 550 nm and the Angström coefficient measured in the spectral range between 412 nm and 470 nm. A zoom on a few sites chosen according to the three climatic zones confirms the majority presence of mineral aerosols in Burkina Faso, whose maxima are observed in spring and summer.

Structural, Electronic and Optical Properties of ScxAl1-xN alloys within DFT Calculations

Structural, electronic and optical properties of Sc-based aluminum-nitride alloy have been carried out with first-principles methods using both local density approximation (LDA) and Heyd-Scuseria-Ernzerhof (HSE) hybrid functional. This latter provides a more accurate description of the lattice parameters, enthalpy of formation, electronic and optical properties of our alloy than standard DFT. We found the transition from wurtzite to rocksalt structures at 61% of Sc concentration. By increasing the scandium concentration, the lattice parameters and the band gap decrease. The HSE band gap is in good agreement with available experimental data. The existence of the strong hybridization between Sc 3d and N 2p indicates the transport of electrons from Sc to N atoms. Besides, it is shown that the insertion of the Sc atom leads to the redshift of the optical absorption edge. The optical absorption of ScxAl1-xN is found to decrease with increasing Sc concentrations in the low energy range. Because of this, ScxAl1-xN have a great potential for applications in photovoltaics and photocatalysis.

GGA + U Study of the Optical Properties of α-BeH2

The optical properties of α-BeH2 in an Orthorhombic crystal structure with the space group (Ibam) are investigated. We have calculated the optical properties including dielelectric function, refractive index and extinction coefficient, using density functional approach. A theoretical explanation of the relationship between the dielectric function and other optical constants has been provided. Furthermore, the real and imaginary components of the dielectric function have been examined. The effects of the exchange-correlation potentials (GGA and GGA + U) applied on this compound’s absorption peaks and edges have also been investigated. It was found that using the GGA + U approximation caused the conduction band to shift, which in turn caused the initial absorption peak to shift.

Influence of Waveguide Properties on Wave Prototypes Likely to Accompany the Dynamics of Four-Wave Mixing in Optical Fibers

In this article, we study the impacts of nonlinearity and dispersion on signals likely to propagate in the context of the dynamics of four-wave mixing. Thus, we use an indirect resolution technique based on the use of the iB-function to first decouple the nonlinear partial differential equations that govern the propagation dynamics in this case, and subsequently solve them to propose some prototype solutions. These analytical solutions have been obtained;we check the impact of nonlinearity and dispersion. The interest of this work lies not only in the resolution of the partial differential equations that govern the dynamics of wave propagation in this case since these equations not at all easy to integrate analytically and their analytical solutions are very rare, in other words, we propose analytically the solutions of the nonlinear coupled partial differential equations which govern the dynamics of four-wave mixing in optical fibers. Beyond the physical interest of this work, there is also an appreciable mathematical interest.

Study on the optical property and biocompatibility of a tissue engineering cornea

AIM: To study the optical property and biocompatibility of a tissue engineering cornea. METHODS: The cross-linker of N- (3-Dimethylaminoropyl)-N'ethylcarbodiimide hydrochloride (EDC)/ N-Hydroxysuccinimide (NHS) was mixed with Type I collagen at 10% (weight/volume). The final solution was molded to the shape of a corneal contact lens. The collagen concentrations of 10%, 12.5%, 15%, 17.5% and 20% artificial corneas were tested by UV/vis-spectroscopy for their transparency compared with normal rat cornea. 10-0 sutures were knotted on the edges of substitute to measure the corneal buttons's mechanical properties. Normal rat corneal tissue primary culture on the collagen scaffold was observed in 4 weeks. Histopathologic examinations were performed after 4 weeks of in vitro culturing. RESULTS: The collagen scaffold appearance was similar to that of soft contact lens. With the increase of collagen concentration, the transparency of artificial corneal buttons was diminished, but the toughness of the scaffold was enhanced. The scaffold transparency in the 10% concentration collagen group resembled normal rat cornea. To knot and embed the scaffold under the microscope, 20% concentration collagen group was more effective during implantation than lower concentrations of collagen group. In the first 3 weeks, corneal cell proliferation was highly active. The shapes of cells that grew on the substitute had no significant difference when compared with the cells before they were moved to the scaffold. However, on the fortieth day, most cells detached from the scaffold and died. Histopathologic examination of the primary culture scaffold revealed well grown corneal cells tightly attached to the scaffold in the former culturing. CONCLUSION: Collagen scaffold can be molded to the shape of soft contact corneal lens with NHS/EDC. The biological stability and biocompatibility of collagen from animal species may be used as material in preparing to engineer artificial corneal scaffold.

Constraint Inversion Algorithm of Lidar Equationfor Deriving Aerosol Optical Property

A key question of the backward integration algorithm to lidar equation is how to determine the far-endboundary value. This paper develops a Constraint Inversion Algorithm (CIA) for deriving the value andthen the aerosol extinction profile from lidar signals, which uses the ground-level horizontal lidar signals asthe constraint information. The smaller the wavelength is, the more sensitive to the variation of aerosol extinction to backscatter ratio solved by CIA. According to the property an algorithm is further proposed tosimultaneously retrieve the aerosol extinction profile, the size distribution and the imaginary part of its reflective index from the multi-wavelength lidar observations. CIA is tested in the inversion simulations withsatisfactory result.

The determination of the thickness and the optical dispersion property of gold film using spectroscopy of a surface plasmon in the frequency domain

We propose to use wavelength modulation approach,i.e.,the spectroscopy of a surface plasmon in the frequency domain,to characterize the optical dispersion property of gold film.Using this method,we determine the dispersion relationship of gold film in a wavelength range from 537.12 nm to 905.52 nm,and our results accord well with the reported results by other authors.This method is particularly suited for studying the optical dispersion properties of thin metal films,because a series of dielectric constants over a wide spectral range can be determined simultaneously via only a single scan of the incident angle,thereby avoiding the repeated measurements required when using the angular modulation approach.

Phase Diagram, Growth and Optical Property of the LaBWO_6 Crystal

The phase diagram, growth and optical property of LaBWO6 crystal are reported. LaBWO6 crystal melts congruently at 1078 ℃. Based on the pseudo-ternary phase diagram of LaBWO6-（Li2WO4/LiF） -B203, the LaBWO6 crystals have been firstly grown by the flux method. LaBWO6 crystal crystallizes in the orthorhombic system, space group P222 with a = 4.1, b = 10.31 and c = 21.71 A. LaBWO6 Crystal exhibits high transparency in a range from 327 to 1100 nm. The absorption edge of the crystal in the UV range is at 293 nm. The SHG efficient of LaBWO6 crystal is 0.3 times as large as that of the KDP crystal.

Synthesis of Poly (3-acetylpyrrolyl methine) with Azobenzene Side Groups and Study on Its Third-order Nonlinear Optical Property

A novel soluble π-conjugated polymer, poly [（3-acetylpyrrole-2, 5-diyl） p-（N, N-dimethylamino） azobenzylidene] （PAPDMAABE）, was synthesized by condensation of 3-acetylpyrrole with 4-aldehyde-4＇-dimethylaminoazobenzene （ADMAA）. The chemical structure of PAPDMAABE was characterized by Fourier transform infrared spectroscopy （FTIR）, ^1H-NMR, and UV-Vis-NIR spectra. Transmission electron microscope （TEM） analysis for PAPDMAABE indicates that part of PAPDMAABE is in crystal state, due to the short-range order of the polymer. Thermogravimetric analysis （TGA） curve shows that the polymer has good thermal stability and its decomposition temperature is 248℃. The optical band gap of PAPDMAABE obtained from the optical absorption spectrum is about 1.73 eV. The resonant third-order nonlinear optical property of PAPDMAABE at 532 nm was studied using degenerate four-wave mixing （DFWM） technique. The resonant third-order nonlinear optical susceptibility of the polymer is about 7.48×10^-8 esu.

Crystal Structure and the Third-order Nonlinear Optical Property of a Cadmium(Ⅱ) Complex Based on a D-π-A Structural Organic Ligand

A triphenylamine-containing Schiff base ligand(L), namely, N-(4-(1 H-imidazol-1-yl)benzylidene)-N,N-diphenylbenzene-1,4-diamine, was synthesized and characterized. By coordination of the ligand with CdI2, a complex CdI2 L2 was obtained. The structure of the complex was analyzed through single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 25.277(5), b = 11.176(5), c = 17.912(5)A,β= 106.056(5)°, V = 4863(3)A3, Z = 4, Dc =1.633 Mg/m3, F(000)= 2360,Μr = 1195.19,μ= 1.766 mm-1, the final R = 0.0323 and wR = 0.0758 for 33414 observed reflections with I > 2?(I). The linear absorption spectra of the complex were experimentally and theoretically studied. And the third-order nonlinear optical(NLO) property of the complex was also measured through Z-scan technique.

Facile Synthesis of SnO_2 Hollow Microspheres and Their Optical Property

SnO2 hollow microspheres were fabricated via a hydrothermal synthesis method assisting by the complex surfactant system of polyacrylamide and polyethylene glycol.Observation by field emission scanning electron microscopy （FESEM） showed the SnO2 hollow spheres were composed of nanoparticles.The growth mechanism for the formation of hollow spheres was proposed.UV spectroscopy and photoluminescence （PL） were used to investigate the optical properties of the products.The PL result showed that four peaks,containing the emission from recombination of free excitons,were observed in the photoluminescence spectrum.

On the Role of Bond Function in Nonlinear Optical Property Calculations for HF,HCI,LiH,H_2O and NH_3

Dond function basis sets have been used to calculate the molecular nonlinear optical properties which include hyperpolarizability βo , polarizability ao , and dipole moment μo for six molecules. The calculations at the fourth-order Moller-Plesset approximation (MP4) have recovered more than 90% of the experimental values βo , comparecl to that as low as 75% by the other authors. The calculated values of αo and iuo are also in good agreement with those of experiments and superior to that from other work. It is shown that the bond functions improve the calculated results at SCF level and especially at the level of the correction of electronic correlation (MP2 and MP4).

Synthesis and Optical Property Study on ZnO Nanostructures Via Vapor Phase Growth

Nanostructural zinc oxide films have been synthesized via vapor phase growthby heating pure zinc powder. Scanning electron microscopy ( SEM) images and X-ray diffraction (XRD)results showed that four kinds of morphologies ZnO nanostructures namely nanowires, well-alignednanorods, nanofeathers and hexagonal nano-rods were formed and all of wurtzite structural crystals.The results indicated that the temperature and substrate play an important role in the formation ofdifferent morphologies of ZnO nanostructures. The photoluminescence (PL) measurement was carried outfor the well-aligned nanorods ZnO sample and blue emission peaks at 420 and 444 nm have beenobserved at room temperature. And the blue emission mechanism is discussed.

Influence of Alumina Addition on the Optical Property of Zirconia/Alumina Composite Dental Ceramics

The influence of various alumina additions on the optical property of zirconia/alumina composite ceramics was investigated. The relative sintered densities, transmittances, color and the microstructure of the composite ceramics were studied. The experimental results showed that the relative sintered densities and transmittances decreased with alumina addition. The lightness increased obviously but the chroma change was small. Pure zirconia nanopowders sintered densely could obtain the relatively high transmittance, while the transmittance and the lightness of slight addition changed significantly. The zirconia/alumina composite ceramics with alumina addition less than 7.5wt% could achieve the relatively stable and reliable optical properties.

The Optical Property of CPD Prepared CdS Films

CdS films were prepared with chemical pyrolysis deposition (CPD) at 450℃ during film growth, and these CdS films were also annealed at different temperature from 200-500℃.The optical property of the CdS films before and after annealing was investigated at different measuring temperature from 10K to 300K. Optical absorption spectra show that the absorption edge is towards the shorter wavelengths, and the energy band gaps deduced from the plots of (α·hν) 2 vs. hν are increased when the measuring temperature is decreased. The optical behaviors of the CdS films annealed at a certain temperature seem to have the similar tendency at different measuring temperature. Based on dE- ex/dT curve dependent on annealing temperature, some phenomena related microstructure in CdS films could be found.

Synthesis,Crystal and Electronic Structures,and Optical Property of the Chiral Y4InSbS9

The chiral sulfide Y4InSbS9 has been prepared from stoichiometric elements at 1223 K in an evacuated silica tube. It crystallizes in the chiral tetragonal space group P43212 with a = 9.8784（3）, c = 27.3106（16） A, V = 2665.04（19） A^3, Z = 8, Mr = 880.75, Dc = 4.390 g/cm^3, μ = 22.285 mm^–1, F（000） = 3200, the final R = 0.0302 and wR = 0.0669 for 2961 observed reflections with I 〉 2σ（I）. The structure features infinite helical chains of [In2Sb2S（11）^10–]∞ propagating along the c direction and they are separated by isolated Y^3＋ cations and S2– anions. UV/Vis diffuse reflectance spectroscopy study shows that its optical gap is around 1.94 eV. Density functional theory（DFT） study indicates an indirect band gap with an electronic transfer excitation of S 3p to Y 5d orbital electrons.

Synthesis of Poly[(3-octanoylpyrrole-2,5-diyl)-p-nitrobenzylidene] and Its Third-order Nonlinear Optical Property

A novel soluble π-conjugated polymer, poly[(3-octanoylpyrrole-2,5-diyl)-p-nitrobenzylidene] (POPNBE), was synthesized by a five-step reaction. As a result of introducing a long acyl to pyrrole at 3-position, the polymer can be easily solved in polar solvents and be processed into films. The chemical structures of the intermediates and POPNBE were characterized by FTIR, 1H NMR, and UV-Vis-NIR spectrometries. The absorption band in the range of 400-600 nm in the UV-Vis-NIR spectrum is due to the π-π * band gap transition. The optical band gap of POPNBE obtained from the optical absorption is about 1.72 eV. The resonant third-order nonlinear optical property of POPNBE at 532 nm was studied by using the degenerate four-wave mixing(DFWM) technique. The resonant third-order nonlinear optical susceptibility of POPNBE is about 3.42×10 -8 esu.

Optical Conductivity and Dielectric Response of an Organic Aminopyridine NLO Single Crystal

This paper explores the correlation of electro-optical properties with dielectric properties of an organic single crystal. The optical constants of the organic aminopyridine single crystal have been studied. The second harmonic generation efficiency of the grown crystal, based on powder measurement, is 2.9 times higher than that of KDP. The real and imaginary part of the complex refractive index and dielectric constant of the crystal were determined. The optical and electrical conductivity of the grown crystal were studied.