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.

The Effect of Uncaria gambir on Optical Properties and Thermal Stability of CNF/PVA Biocomposite Films

Cellulose-based film has gained popularity as an alternative to synthetic polymers due to its outstanding properties.Among all types of cellulose materials available,cellulose nanofiber(CNF)has great potential to be utilized in a diverse range of applications,including as a film material.In this study,CNF biocomposite film was prepared by using polyvinyl alcohol(PVA)as a matrix and Uncaria gambir extract as a filler.This study aims to investigate the effect of Uncaria gambir extract on the optical properties and thermal stability of the produced film.The formation of the CNF biocomposite films was confirmed using Fourier Transform Infrared Spectroscopy,their transmittance characteristics were measured using UV-Vis spectroscopy and a transmittance meter,while their reflectance was determined using a reflectance meter.The results revealed that the addition of Uncaria gambir extract to the CNF biocomposite film improved its UV-shielding properties,as indicated by the lower percentage of transmittance in the visible region,10%–70%.In addition,its reflectance increased to 10.6%compared to the CNF film without the addition of Uncaria gambir extract.Furthermore,the thermal stability of the CNF biocomposite film with the addition of Uncaria gambir extract improved to around 400℃–500℃.In conclusion,the results showed that CNF biocomposite film prepared by adding Uncaria gambir extract can be a promising candidate for optical and thermal management materials.

Electrical and nonlinear optical properties of TGZO transparent conducting films deposited by magnetron sputtering

Thin transparent oxide conducting films(TCOFs)of titanium and gallium substituted zinc oxide(TGZO)were fabricated via radio frequency(RF)magnetron sputtering technique.The effects of RF power on electrical,linear and nonlinear optical characteristics were investigated by Hall tester,Ultraviolet(UV)-visible spectrophotometer and optical characterization method.The results indicate that RF power significantly influences the electrical and optical properties of the deposited films.As RF power raises,the resistivity and Urbach energy fall initially and then rise,while the figure of merit,mean visible transmittance and optical bandgap show the reverse variation trend.At RF power of 190 W,the TGZO sample exhibits the highest electro-optical properties,with the maximum figure of merit(1.14×10^(4)Ω^(-1)∙cm^(-1)),mean visible transmittance(86.9%)and optical bandgap(3.50 eV),the minimum resistivity(6.26×10^(-4)Ω∙cm)and Urbach energy(174.23 meV).In addition,the optical constants of the deposited films were determined by the optical spectrum fitting method,and the RF power dependence of nonlinear optical properties was studied.It is observed that all the thin films exhibit normal dispersion characteristics in the visible region,and the nonlinear optical parameters are greatly affected by the RF power in the ultraviolet region.

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.

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.

Optical Properties of GaAs/AlGaAs Nanowires Grown on Pre-etched Si Substrates

GaAs-based nanomaterials are essential for near-infrared nano-photoelectronic devices due to their exceptional optoelectronic properties.However,as the dimensions of GaAs materials decrease,the development of GaAs nanowires(NWs)is hindered by type-Ⅱquantum well structures arising from the mixture of zinc blende(ZB)and wurtzite(WZ)phases and surface defects due to the large surface-to-volume ratio.Achieving GaAs-based NWs with high emission efficiency has become a key research focus.In this study,pre-etched silicon substrates were combined with GaAs/AlGaAs core-shell heterostructure to achieve GaAs-based NWs with good perpendicularity,excellent crystal structures,and high emission efficiency by leveraging the shadowing effect and surface passivation.The primary evidence for this includes the prominent free-exciton emission in the variable-temperature spectra and the low thermal activation energy indicated by the variable-power spectra.The findings of this study suggest that the growth method described herein can be employed to enhance the crystal structure and optical properties of otherⅢ-Ⅴlow-dimensional materials,potentially paving the way for future NW devices.

Study of the Electronic Structure and Optical Properties of Rare Earth Luminescent Materials

Rare earth luminescent materials have attracted significant attention due to their wide-ranging applications in the field of optoelectronics. This study aims to delve into the electronic structure and optical properties of rare earth luminescent materials, with the goal of uncovering their importance in luminescence mechanisms and applications. Through theoretical calculations and experimental methods, we conducted in-depth analyses on materials composed of various rare earth elements. Regarding electronic structure, we utilized computational techniques such as density functional theory to investigate the band structure, valence state distribution, and electronic density of states of rare earth luminescent materials. The results indicate that the electronic structural differences among different rare earth elements notably influence their luminescence performance, providing crucial clues for explaining the luminescence mechanism. In terms of optical properties, we systematically examined the material’s optical behaviors through fluorescence spectroscopy, absorption spectroscopy, and other experimental approaches. We found that rare earth luminescent materials exhibit distinct absorption and emission characteristics at different wavelengths, closely related to the transition processes of their electronic energy levels. Furthermore, we studied the influence of varying doping concentrations and impurities on the material’s optical properties. Experimental outcomes reveal that appropriate doping can effectively regulate the emission intensity and wavelength, offering greater possibilities for material applications. In summary, this study comprehensively analyzed the electronic structure and optical properties of rare earth luminescent materials, providing deep insights into understanding their luminescence mechanisms and potential value in optoelectronic applications. In the future, these research findings will serve as crucial references for the technological advancement in fields such as LEDs, lasers, and bioimaging.

Hydrothermal synthesis, characterization and optical properties of La_2Sn_2O_7:Eu^(3+) micro-octahedra

Pyrochlore structure La2Sn2O7：Eu3＋ microcrystals with uniform octahedron shape were successfully synthesized via a hydrothermal route at 180 °C for 36 h. The crystal structure, particle size, morphologies, and optical properties of the as-synthesized products were investigated by XRD, TEM, SEM, EDS, FT-IR, Raman spectroscopy and PL. The effects of pH of precursor solution, precursor concentration, reaction temperature, and time were investigated. The results reveal that pH of the precursor solution not only plays an important role in determining the phase of the as-synthesized products, but also has a significant influence on the morphologies of the samples. High-quality and uniform octahedrons with an average size of about 700 nm could be easily obtained at the pH value of 12. The possible formation mechanism of octahedral-like La2Sn2O7：Eu3＋ microcrystals was briefly proposed. The photoluminescence spectra show that La2Sn2O7：Eu3＋ micro-octahedra display stronger emission in the range of 582-592 nm compared with the samples with other shapes.

Synthesis and optical properties of zinc phosphate microspheres

Monodisperse zinc phosphate microspheres were synthesized by a facile solvothermal method in the presence of oleic acid.X-ray powder diffraction（XRD）,Fourier transform infrared spectrum（FT-IR）,emission scanning electron microscopy（SEM）,and energy dispersive X-ray spectrum（EDX） were used to characterize the microstructures and morphologies of the as-obtained zinc phosphate samples.The experimental results indicate that the zinc phosphate products are well crystallized,and the morphologies of the samples can be easily controlled by the elaborate choice of oleic acid addition and the content of NaOH.Furthermore,self-activated luminescent properties of the products are observed.The as-obtained samples show an intense blue emission under a long-wavelength UV light excitation of 400 nm.The possible luminescent mechanism may be ascribed to the carbon-related surface impurities or defects.

Preparation and Optical Properties of Copper-Doped ZnS Nanoparticles

ZnS ∶Cu nanoparticles were prepared by using microemulsion method at room temperature. The size of the particles is 2-8 nm by transmission electron microscopy (TEM) and dynamic light scattering (DLS) technique. X-ray diffraction analysis shows that the particles are cubic crystal structure, the same structure as the bulk ZnS materials. Ultraviolet absorption demonstrates an increased bandgap due to quantum confinement effect. Photoluminescence spectrum shows there is a single green emission band at 482 nm.

Effect of Surface-Covered Annealing on the Optical Properties of ZnO Films Grown by MOCVD

ZnO films grown by metal organic chemical vapor deposition at atmospheric pressure are annealed at 850℃ ,with the film surfaces exposed to air or covered by a sapphire wafer. The optical properties of the as-grown and the annealed samples are studied by photoluminescence （PL） spectroscopy. It is found that the air-exposure annealing effectively removes the hydrogen impurities from the ZnO films but greatly increases the deep-level emission. In the surface-covered annealed sample, an elimination of the hydrogen impurities is also observed, and the deep-level emission disappears completely. The free exciton emission is significantly enhanced in the ZnO film after surface-covered annealing.

Electronic and Optical Properties of O-Terminated Armchair Graphene Nanoribbons

The structure, electromagnetic and optical properties of the O-terminated graphene nanorib- bons with armchair edge are studied using first-principles theory. The results show that the O-terminated armchair edge are more stable than the H-terminated ribbons and show metal- lic character. Spin-polarized calculations reveal that the antiferromagnetic state are more stable than the ferromagnetic state. The energy band and density of states analyses show that the O-terminated armchair edge are antiferromagnetic semiconductors. Because of the terminated 0 atoms, the dielectric function has an evident red shift and the first peak is the strongest with its main contribution derived from the highest valence band. The peaks of the dielectric function, reflection, absorption, energy loss are related to the transition of electrons. Our results suggest that the O-terminated graphene nanoribbons have potential applications in nanoelectronics, opto-electric devices.

First-principles investigations of structural, mechanical, electronic and optical properties of U_3Si_2-type AlSc_2Si_2 under high pressure

The structural, elastic, electronic and optical properties for U3Si2-type AlSc2Si2 compound under pressure were systematically investigated by using the first-principles calculations. The values of elastic constants and elastic moduli indicate that AlSc2Si2 keeps mechanical stability under high pressure. The mechanical properties of AISc2Si2 are compared with those of Al3Sc. The results indicate that AlSc2Si2 is harder than AI3Sc. Anisotropic constant AU and 3D curved surface of elastic moduli predict that AISc2Si2 is obviously anisotropic under pressure. The electronic structure of AlSc2Si2 exhibits metallic character and the metallicity decreases with the elevated pressure. In addition, optical properties as a function of pressure were calculated and analyzed. The present work provides theoretical support for further experimental work and industrial applications.

Aerosol Optical Properties and Its Radiative Forcing over Yulin, China in 2001 and 2002

The aerosol optical properties and direct radiative forcing over the Mu Us desert of northern China, acquired through a CE318 sunphotometer of the ground-based Aerosol Robotic Network （AERONET）, are analyzed. The seasonal variations in the aerosol optical properties are examined. The effect of meteorological elements （pressure, temperature, water vapor pressure, relative humidity and wind speed） on the aerosol optical properties is also studied. Then, the sources and optical properties under two different cases, a dust event and a pollution event, are compared. The results show that the high aerosol optical depth （AOD） found in Yulin was mostly attributed to the occurrence of dust events in spring from the Mu Us desert and deserts of West China and Mongolia, as well as the impacts of anthropogenic pollutant particles from the middle part of China in the other seasons. The seasonal variation and the probability distribution of the radiative forcing and the radiative forcing efficiency at the surface and the top of the atmosphere are analyzed and regressed using the linear and Gaussian regression methods.

Aerosol Optical Properties Affected by a Strong Dust Storm over Central and Northern China

Aerosol observational data at 8 ground-based observation sites in the Chinese Sun Hazemeter Network （CSHNET） were analyzed to characterize the optical properties of aerosol particles during the strong dust storm of 16-21 April 2005. The observational aerosol optical depth （AOD） increased significantly during this dust storm at sites in Beijing city （86%）, Beijing forest （84%）, Xianghe （13%）, Shapotou （27%）, Shenyang （47%）, Shanghai （23%）, and Jiaozhou Bay （24%）. The API （air pollution index） in Beijing and Tianjin also had a similar rise during the dust storm, while the Angstrhm exponent （a） declined evidently at sites in Beijing city （21%）, Beijing forest （39%）, Xianghe （19%）, Ordos （77%）, Shapotou （50%）, Shanghai （12%）, and Jiaozhou Bay （21%）, respectively. Furthermore, The observational AOD and a demonstrated contrary trends during M1 storm stages （pre-dust storm, dust storm, and post-dust storm）, with the AOD indicating an obvious ＂Valley Peak-Valley＂ pattern of variation, while a demonstrated a ＂Peak-Valley- Peak＂ pattern. In addition, the dust module in a regional climate model （RegCM3） simulated the dust storm occurrence and track accurately and RegCM3 was able to basically simulate the trends in AOD. The simulation results for the North China stations were the best, and the simulation for dust-source stations was on the high side, while the simulation was on the low side for coastal sites.

The Impacts of Optical Properties on Radiative Forcing Due to Dust Aerosol

There are large uncertainties in the quantitative assessment of radiative effects due to atmospheric dust aerosol. The optical properties contribute much to those uncertainties. The authors perform several sensitivity experiments to estimate the impacts of optical characteristics on regional radiative forcing in this paper. The experiments involve in refractive indices, single scattering aibedo, asymmetry factor and optical depth. An updated dataset of refractive indices representing East Asian dust and the one recommended by the World Meteorology Organization （WMO） are contrastively analyzed and used. A radiative transfer code for solar and thermal infrared radiation with detailed aerosol parameterization is employed. The strongest emphasis is on the refractive indices since other optical parameters strongly depend on it, and the authors found a strong sensitivity of radiative forcing on refractive indices. Studies show stronger scattering, weaker absorption and forward scattering of the East Asian dust particles at solar wavelengths, which leads to higher negative forcing, lower positive forcing and bigger net forcing at the top of the atmosphere （TOA） than that of the WMO dust model. It is also found that the TOA forcings resulting from these two dust models have opposite signs in certain regions, which implies the importance of accurate measurements of optical properties in the quantitative estimation of radiative forcing.

Influence of oxygen gas content on the structural and optical properties of ZnO thin films deposited by RF magnetron sputtering at room temperature

Zinc oxide （ZnO） thin films were deposited on sapphire （0001） substrates at room temperature by radiofrequency （RF） magnetron sputtering at oxygen gas contents of 0%, 25%, 50% and 75%, respectively. The influence of oxygen gas content on the structural and optical properties of ZnO thin films was studied by a surface profile measuring system, X-ray diffraction analysis, atomic force microscopy, and UV spectro- photometry. It is found that the size of ZnO crystalline grains increases first and then decreases with the increase of oxygen gas content, and the maximum grain size locates at the 25% oxygen gas content. The crystalline quality and average optical transmittance （〉90%） in the visi- ble-light region of the ZnO film prepared at an oxygen gas content of 25% are better than those of ZnO films at the other contents. The obtained results can be attributed to the resputtefing by energetic oxygen anions in the growing process.

A Study on Sulfate Optical Properties and Direct Radiative Forcing Using LASG-IAP General Circulation Model

The direct radiative forcing （DRF） of sulfate aerosols depends highly on the atmospheric sulfate loading and the meteorology, both of which undergo strong regional and seasonal variations. Because the optical properties of sulfate aerosols are also sensitive to atmospheric relative humidity, in this study we first examine the scheme for optical properties that considers hydroscopic growth. Next, we investigate the seasonal and regional distributions of sulfate DRF using the sulfate loading simulated from NCAR CAM-Chem together with the meteorology modeled from a spectral atmospheric general circulation model （AGCM） developed by LASG-IAP. The global annual-mean sulfate loading of 3.44 mg m-2 is calculated to yield the DRF of -1.03 and -0.57 W m-2 for clear-sky and all-sky conditions, respectively. However, much larger values occur on regional bases. For example, the maximum all-sky sulfate DRF over Europe, East Asia, and North America can be up to -4.0 W m-2. The strongest all-sky sulfate DRF occurs in the Northern Hemispheric July, with a hemispheric average of -1.26 W m-2. The study results also indicate that the regional DRF are strongly affected by cloud and relative humidity, which vary considerably among the regions during different seasons. This certainly raises the issue that the biases in model-sinmlated regional meteorology can introduce biases into the sulfate DRF. Hence, the model processes associated with atmospheric humidity and cloud physics should be modified in great depth to improve the simulations of the LASG-IAP AGCM and to reduce the uncertainty of sulfate direct effects on global and regional climate in these simulations.

Retrieval of Aerosol Optical Properties over the Beijing Area Using POLDER/PARASOL Satellite Polarization Measurements

Aerosol optical properties over Beijing and Xianghe under several typical weather conditions （clear sky, light haze, heavy pollution and dust storm） are derived from POLDER （POLarization and Directionality of the Earth＇s Reflectances）/PARASOL （Polarization and Anisotropy of Reflectances for Atmospheric Sciences coupled with Observations from a Lidar） multi-directional, multi-spectral polarized signals using a more reliable retrieval algorithm as proposed in this paper. The results are compared with those of the operational retrieval algorithm of POLDER/PARASOL group and the ground-based AERONET （AErosol RObotic NETwork）/PHOTONS （PHOtometrie pour le Traitement Operational de Normalisation Satellitaire） measurements. It is shown that the aerosol optical parameters derived from the improved algorithm agree well with AERONET/PHOTONS measurement. The retrieval accuracies of aerosol optical thickness （AOT） and effective radius are 0.06 and 0.05 μm respectively, which are close to or better than the required accuracies （0.04 for AOT and 0.1 μm for effective radius） for estimating aerosol direct forcing.