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.

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.

Structural evolution-enabled BiFeO3 modulated by strontium doping with enhanced dielectric,optical and superparamagnetic properties by a modified sol-gel method

Multiferroic(BFO)nanoparticles doped with strontium with the general formula Bi1-xSrx FeO3(x=0,0.3,0.5,0.7)were synthesized using a modified sol-gel auto-combustion process.The structural,electrical,optical,and magnetic properties of the samples are discussed.The structural analysis,carried out using the x-ray powder diffraction technique,shows a structural transition from rhombohedral(R-3c)to cubic(Pm-3m)for the doping amount of strontium(Sr)equal to x=0.3.Morphological analysis of the prepared samples were carried out using scanning electron microscopy(SEM).Frequency-dependent dielectric constant and ac conductivity were studied.The doped samples,with improved dielectric properties,can be used to fabricate different optoelectronic devices.Strong dielectric dispersion and broad relaxation were exhibited by all the samples.Cole–Cole plots were employed as an effective tool to study the dispersion parameters,namely,the optical dielectric constant,static dielectric constant,relaxation time,and spreading factor.The activation energy was calculated from the relaxation peaks and Cole–Cole plots,which were found to be compatible with each other.The bandgap of the samples was calculated using diffuse reflectance spectral(DRS)analysis.Sharp and strong photoluminescence in the IR region was observed in the samples,similar to ZnO,which was reported for the first time.Room-temperature and low-temperature magnetization studies point towards the superparamagnetic nature of the samples,with an improvement in magnetic properties with doping.The antiferromagnetic behavior of bulk bismuth ferrite transforms to superparamagnetic in nature for both pure and Sr-substituted bismuth ferrite nanoparticles due to the close dimensions of crystallite size with magnetic domains leading to the break-down of the frustrated spin cycloidal moment.

Optical and electrical properties of BaSnO_(3) and In_2O_(3) mixed transparent conductive films deposited by filtered cathodic vacuum arc technique at room temperature

For the crystalline temperature of BaSnO_(3)(BTO)was above 650℃,the transparent conductive BTO-based films were always deposited above this temperature on epitaxy substrates by pulsed laser deposition or molecular beam epitaxy till now which limited there application in low temperature device process.In the article,the microstructure,optical and electrical of BTO and In_(2)O_(3) mixed transparent conductive BaInSnO_(x)(BITO)film deposited by filtered cathodic vacuum arc technique(FCVA)on glass substrate at room temperature were firstly reported.The BITO film with thickness of 300 nm had mainly In_(2)O_(3) polycrystalline phase,and minor polycrystalline BTO phase with(001),(011),(111),(002),(222)crystal faces which were first deposited at room temperature on amorphous glass.The transmittance was 70%–80%in the visible light region with linear refractive index of 1.94 and extinction coefficient of 0.004 at 550-nm wavelength.The basic optical properties included the real and imaginary parts,high frequency dielectric constants,the absorption coefficient,the Urbach energy,the indirect and direct band gaps,the oscillator and dispersion energies,the static refractive index and dielectric constant,the average oscillator wavelength,oscillator length strength,the linear and the third-order nonlinear optical susceptibilities,and the nonlinear refractive index were all calculated.The film was the n-type conductor with sheet resistance of 704.7Ω/□,resistivity of 0.02Ω⋅cm,mobility of 18.9 cm2/V⋅s,and carrier electron concentration of 1.6×10^(19) cm^(−3) at room temperature.The results suggested that the BITO film deposited by FCVA had potential application in transparent conductive films-based low temperature device process.

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.

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.

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.

Effect of annealing treatment on the structural, optical, and electrical properties of Al-doped ZnO thin films

Highly conductive and transparent Al-doped ZnO （AZO） thin films were prepared from a zinc target containing Al （1.5 wt.%） by direct current （DC） and radio frequency （RF） reactive magnetron sputtering. The structural, optical, and electrical properties of AZO films as-deposited and submitted to annealing treatment （at 300 and 400℃, respectively） were characterized using various techniques. The experimental results show that the properties of AZO thin films can be further improved by annealing treatment. The crystallinity of ZnO films improves after annealing treatment. The transmittances of the AZO thin films prepared by DC and RF reactive magnetron sputtering are up to 80% and 85% in the visible region, respectively. The electrical resistivity of AZO thin films prepared by DC reactive magnetron sputtering can be as low as 8.06 x 10-4 Ωcm after annealing treatment. It was also found that AZO thin films prepared by RF reactive magnetron sputtering have better structural and optical properties than that prepared by DC reactive magnetron sputtering.

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.

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.

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.

Ground-based observation of aerosol optical properties in Lanzhou, China

Aerosol optical properties from August 2006 to July 2007 were obtained from ground-based and sky radiance measurements in Semi- Arid Climate and Environment Observatory of Lanzhou University （SACOL）, China. High aerosol optical thickness （AOT） associated with low .Angstrom exponent （α） was mainly observed in spring, which was consistent with the seasonal dust production from Hexi Corridor. The maximum monthly average value of AOT 0.56 occurred in March of 2007, which was two times larger than the minimum value of 0.28 in October of 2006. Approximately 60% of the AOT ranged between 0.3 and 0.5, and nearly 93% ofα value varied from 0.1 to 0.8, which occurred in spring. The significant correlation between aerosol properties and water vapor content was not observed. The aerosol volume size distribution can be characterized by the bimodal logarithm normal structure： fine mode （r 〈 0.6 μm） and coarse mode （r 〉 0.6 μm）. Aerosols in spring of SACOL were dominated by large particles with the volume concentration ratio of coarse to fine modes being 7.85. The average values of asymmetry factor （g） in the wavelength range 440-1020 nm were found to be 0.71, 0.67, 0.67 and 0.69 in spring, summer, autumn and winter, respectively.

Structural and Optical Properties and Emerging Applications of Metal Nanomaterials

Nanomaterials possess intriguing optical properties that depend sensitively on size, shape, and material content of the structures. Controlling such structural characteristics of the nanostructures allows the tailoring of their physical and chemical properties, e.g. optical, electronic, and catalytic, to achieve what is desired lot specific applications of interest. This review will cover the development of various shapes for silver and gold nanomaterials with emphasis on their relation to optical properties. Examples of various modern synthetic methods and characterization techniques are highlighted. The influence of the metal nanomaterial＇s shape and optical absorption on surface enhanced Raman scattering （SERS） and a final note on new emerging applications of metal nanostructures are also discussed.

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.

Retrieval of Aerosol Optical Properties over a Vegetation Surface Using Multi-angular, Multi-spectral, and Polarized Data

An algorithm to retrieve aerosol optical properties using multi-angular,multi-spectral,and polarized data without a priori knowledge of the land surface was developed.In the algorithm,the surface polarized reflectance was estimated by eliminating the atmospheric scattering from measured polarized reflectance at 1640 nm.A lookup table （LUT） and an iterative method were adopted in the algorithm to retrieve the aerosol optical thickness （AOT,at 665 nm） and the （A）ngstr（o）m exponent （computed between the AOTs at 665 and 865 nm）.Experiments were performed in Tianjin to verify the algorithm.Data were provided by a newly developed airborne instrument,the Advanced Atmosphere Multi-angle Polarization Radiometer （AMPR）.The AMPR measurements over the target field agreed well with the nearby ground-based sun photometer.An algorithm based on Research Scanning Polarimeter （RSP） measurements was introduced to validate the observational measurements along a flight path over Tianjin.The retrievals were consistent between the two algorithms.The AMPR algorithm shows potential in retrieving aerosol optical properties over a vegetation surface.

Seasonal Variation of Columnar Aerosol Optical Properties in Yangtze River Delta in China

In order to understand the seasonal variation of aerosol optical properties in the Yangtze River Delta,5 years of measurements were conducted during September 2005 to December 2009 at Taihu,China.The monthly averages of aerosol optical depth were commonly 0.6;the maximum seasonal average（0.93） occurred in summer.The magnitude of the Angstr¨om exponent was found to be high throughout the year;the highest values occurred in autumn（1.33） and were the lowest in spring（1.08）.The fine modes of volume size distribution showed the maxima（peaks） at a radius of ～0.15 μm in spring,autumn,and winter;at a radius of ～0.22 μm in summer.The coarse modes showed the maxima（peaks） at a radius of 2.9 μm in spring,summer,and autumn and at a radius of 3.8 μm in winter.The averages of single-scattering albedo were 0.92（spring）,0.92（summer）,0.91（autumn）,and 0.88（winter）.The averages of asymmetry factor were found to be larger in summer than during other seasons;they were taken as 0.66 at 440-1020 nm over Taihu.The real part of the refractive index showed a weak seasonal variation,with averages of 1.48（spring）,1.43（summer）,1.45（autumn）,and 1.48（winter）.The imaginary parts of the refractive index were higher in winter（0.013） than in spring（0.0076）,summer（0.0092）,and autumn（0.0091）,indicating that the atmosphere in the winter had higher absorbtivity.

First-principles calculations for electronic,optical and thermodynamic properties of ZnS

The electronic, optical and thermodynamic properties of ZnS in the zinc-blende （ZB） and wurtzite （WZ） structures are investigated by using the plane-wave pseudopotential density functional theory （DFT）. The results obtained are consistent with other theoretical results and the available experimental data. When the pressures are above 20.5 and 27 GPa, the ZB-ZnS and the WZ-ZnS are converted into indirect gap semiconductors, respectively. The critical point structure of the frequency-dependent complex dielectric function is investigated and analysed to identify the optical transitions. Moreover, the values of heat capacity Cv and Debye temperature θ at different pressures and different temperatures are also obtained successfully.

Different Optical Properties between Human Hepatocellular Carcinoma Tissues and Non-tumorous Hepatic Tissues In Vitro

There has been an ongoing search for clinically acceptable methods for the accurate,efficient and simple diagnosis and prognosis of hepatocellular carcinoma（HCC）.Optical spectroscopy is a technique with potential clinical applications to diagnose cancer diseases.The purpose of this study was to obtain the optical properties of HCC tissues and non-tumorous hepatic tissues and identify the difference between them.A total of 55 tissue samples（HCC tissue,n=38;non-tumorous hepatic tissue,n=17） were surgically resected from patients with HCC.The optical parameters were measured in 10-nm steps using single-integrating-sphere system in the wavelength range of 400 to 1800 nm.It was found that the optical properties and their differences varied with the wavelength for the HCC tissue and the non-tumorous hepatic tissue in the entire wavelength range of research.The absorption coefficient of the HCC tissue（1.48±0.99,1.46±0.88,0.86±0.61,2.15±0.53,0.54±0.10,0.79±0.15 mm-1） was significantly lower than that of the non-tumorous hepatic tissue（2.79±1.73,3.13±1.47,3.06±2.79,2.57±0.55,0.62±0.10,0.93±0.16 mm-1） at wavelengths of 400,410,450,1450,1660 and 1800 nm,respectively（P0.05）.The reduced scattering coefficient of HCC tissue（5.28±1.70,4.91±1.54,1.26±0.35 mm-1） and non-tumorous hepatic tissue（8.14±3.70,9.27±3.08,2.55±0.57 mm-1） was significantly different at 460,500 and 1800 nm respectively（P0.05）.These results show different pathologic liver tissues have different optical properties.It provides a better understanding of the relationship between optical parameters and physiological characteristics in human liver tissues.And it would be very useful for developing a non-invasive,real-time,simple and efficient way for medical management of HCC in the future.

Optical properties and local structure of Dy^(3+)-doped chalcogenide and chalcohalide glasses

Dy^3＋-doped Ge-Ga-Se chalcogenide glasses and GeSe2-Ga2Se3-CsI chalcohalide glasses were prepared. The absorption, emission properties, and local structure of the glasses were investigated. When excited at 808 nm diode laser, intense 1.32 and 1.55 μm near-infrared luminescence were observed with full width at half maximum （FWHM） of about 90 and 50 nm, respectively. The lifetime of the 1.32 μm emission varied due to changes in the local structure surrounding Dy^3＋ ions. The longest lifetime was over 2.5 ms, and the value was significantly higher than that in other Dy^3＋-doped glasses. Some other spectroscopic parameters were calculated by using Judd-Ofelt theory. Meanwhile, Ge-Ga-Se and GeSe2-Ga2Se3-CsI glasses showed good infrared transmittance. As a result, Dy^3＋-doped Ge-Ga-Se and GeSe2-Ga2Se3-CsI glasses were believed to be useful hosts for 1.3 μm optical fiber amplifier.