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.

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.

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.

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.

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.

Optical and electrical properties of TiO_2/Au/TiO_2 multilayer coatings in large area deposition at room temperature

TiO2/Au/TiO2 multilayer thin films were deposited at polymer substrate at room temperature using dc （direct current） magnetron sputtering method. By varying the thickness of each layer, the optical and electrical properties of the TiOz/Au/TiO2 multilayer films can be tailored to suit different applications. The thickness and optical properties of the Au layer and the quality of the Au-dielectric interfaces are critical for the electrical and optical performance of the Au-dielectric multilayer thin films. At the thickness of 8 rim, the Au layer forms a continuous structure having the lowest resistivity and it must be thin for high transmittance. The multilayer stack can be optimized to have a sheet resistance of 6 D./sq. at a transmittance over 80% at 680 nm in wavelength. The peak transmittance shifts towards the long wavelength region when the thickness of the two TiO2 （upper and lower） layers increases. When the film thickness of the two TiO2 film is 45 nm, a high transmittance value is obtained for the entire visible light wavelength region.

Comparisons of electrical and optical properties between graphene and silicene A review

Two-dimensional （2D） metamaterials are considered to be of enormous relevance to the progress of all exact sciences. Since the discovery of graphene, researchers have increasingly investigated in depth the details of electrical/optical proper- ties pertinent to other 2D metamaterials, including those relating to the silicene. In this review are included the details and comparisons of the atomic structures, energy diagram bands, substrates, charge densities, charge mobilities, conductivities, absorptions, electrical permittivities, dispersion relations of the wave vectors, and supported electromagnetic modes related to graphene and silicene. Hence, this review can help readers to acquire, recover or increase the necessary technological basis for the development of more specific studies on graphene and silicene.

Effect of compensation doping on the electrical and optical properties of mid-infrared type-II InAs/GaSb superlattice photodetectors

This paper presents a theoretical study on the electrical and optical properties of mid-infrared type-II InAs/GaSb superlattices with different beryllium concentrations in the InAs layer of the active region. Dark current, resistancearea product, absorption coefficient and quantum efficiency characteristics are thoroughly examined. The superlattice is residually n-type and it becomes slightly p-type by varying beryllium-doping concentrations, which improves its electrical performances. The optical performances remain almost unaffected with relatively low p-doping levels and begin to deteriorate with increasing p-doping density. To make a compromise between the electrical and optical performances, the photodetector with a doping concentration of 3 ×10^15 cm-3 in the active region is believed to have the best overall performances.

Structure distortion, optical and electrical properties of ZnO thin films co-doped with Al and Sb by sol-gel spin coating

ZnO thin films co-doped with A1 and Sb with different concentrations and a fixed molar ratio of AlCl3 to SbCl3 at 1：2, are prepared by a sol-gel spin-coating method on glass annealed at 550 ℃ for 2 h in air. The x-ray diffraction results confirm that the ZnO thin films co-doped with Al distortion, and the biaxial stresses are 1.03× 10^8. 3.26× 10^8 and Sb are of wurtzite hexagonal ZnO with a very small 5.23 × 10^8, and 6.97× 10^8 Pa, corresponding to those of the ZnO thin films co-doped with Al and Sb in concentrations of 1.5, 3.0, 4.5, 6.0 at% respectively. The optical properties reveal that the ZnO thin films co-doped with Al and Sb have obviously enhanced transmittance in the visible region. The electrical properties show that ZnO thin film co-doped with Al and Sb in a concentration of 1.5 at% has a lowest resistivity of 2.5 Ω·cm.

Electrical and Optical Properties of GaSe Thin Films

The structure, electrical transport, and optical properties of GaSe films fabricated by means of radio-frequency (RF) magnetron sputtering in Ar were investigated. The as-sputtered GaSe films were amorphous, and their optical energy gap Eg are 1.9～2.6 eV. The effect of the synthesis conditions on the optical and electrical properties of the GaSe films has also been studied

Electrical and optical properties of indium tin oxide/epoxy composite film

The electrical and optical properties of the indium tin oxide （ITO）/epoxy composite exhibit dramatic variations as functions of the ITO composition and ITO particle size. Sharp increases in the conductivity in the vicinity of a critical volume fraction have been found within the framework of percolation theory. A conductive and insulating transition model is extracted by the ITO particle network in the SEM image, and verified by the resistivity dependence on the temperature. The dependence of the optical transmittance on the particle size was studied. Further decreasing the ITO particle size could further improve the percolation threshold and light transparency of the composite film.

Investigation on the Effect of Film Thickness on the Surface Morphology, Electrical and Optical Properties of E-Beam Deposited Indium Tin Oxide (ITO) Thin Film

The following article has been retracted due to the fact that the authors practise fraud. The scientific community takes a very strong view on this matter, and the Advances in Materials Physics and Chemistry treats all unethical behavior seriously. This paper published in Vol. 4 No. 10 194-202, 2014 has been removed from this site. ? Title: Investigation on the Effect of Film Thickness on the Surface Morphology, Electrical and Optical Properties of E-Beam Deposited Indium Tin Oxide (ITO) Thin Film ? Authors: Golam Saklayen, Shahinul Islam, Ferdous Rahman, Abu Bakar

Effects of heat treatment on morphological,optical and electrical properties of ITO films by sol-gel technique

Indium-tin-oxide(ITO)films were prepared on the quarts glass by sol-gel technique.Effects of different heat treatment temperatures and cooling methods on the morphological,optical and electrical properties of ITO films were measured by TG/DTA, IR,XRD,SEM,UV-VIS spectrometer and four-probe apparatus.It is found that the crystallized ITO films exhibit a polycrystalline cubic bixbyite structure.The heat treatment process has significant effects on the morphological,optical and electrical properties of ITO films.Elevating the heat treatment temperature can perfect the crystallization process of ITO films,therefore the optical and electrical properties of ITO films are improved.But the further increasing of heat treatment temperature results in the increment of ITO films’resistivity.Compared with ITO films elaborated by furnace cooling,those prepared through air cooling have following characteristics as obviously decreased crystalline size,deeply declined porosity,more compact micro-morphology,improved electrical property and slightly decreased optical transmission.

Gamma Irradiation Effect on the Thermal Stability, Optical and Electrical Properties of Acrylic Acid/ Methyl Methacrylate Copolymer Films

Copolymer films of Acrylic acid/ Methyl methacrylate AAc/MMA with comonomer composition of 60/40 was prepared and then irradiated by gamma irradiation. The effect of irradiation on some of the physical properties of the copolymer films was investigated. The dose level ranged from 5 to 200 kGy. The thermo gravimetric analysis (TGA) showed that the thermal stability of the films increased with irradiation dose up to 100 kGy then it started to decrease. The results of the UV-Visible spectroscopy of the films showed a decrease in the values of optical band gap and band tail width with doses starting from 100 kGy. The DC conductivity (?DC) of the films was found to decrease to about three orders of magnitude from its original value with irradiation dose up to 100 kGy then it started to increase with higher doses. Moreover, the dielectric constant and dielectric loss values were found to increase with dose up to 100 kGy which may be attributed to the increase in the number of dipoles in the films due to the irradiation of the copolymer films in air. The results indicated that crosslinking dominated over chain scission in the copolymer films with irradiation dose up to 100 kGy then at higher doses, chain scission dominated.

Optical and Electrical Properties of ZnO/CdO Composite Thin Films Prepared by Pulse Laser Deposition

有不同 CdO 内容的 ZnO/CdO 合成电影被脉搏激光免职技术获得。合成电影的结构、光、电的性质被 X 光衍射，光致发光和电的抵抗力大小分别地调查。结果证明紫外排放在在光致发光系列的一个经常的山峰位置。同时，他们的电的抵抗力减少到到 CdO 电影的价值的很低级的来临，它能被抵抗力的 Matthiessen 合成规则解释。在可见区域的低抵抗力和高发射度的怪癖启用对 optoelectronic 设备制造合适的这些电影。

Structural, electrical, and optical properties of ZnInO alloy thin films

Indium zinc oxide （IZO） thin films with different percentages of In content （In/[In＋Zn]） are synthesized on glass substrates by magnetron sputtering, and the structural, electrical and optical properties of IZO thin films deposited at different In2O3 target powers are investigated. IZO thin films grown at different In2O3 target sputtering powers show evident morphological variation and different grain sizes. As the In2O3 sputtering power rises, the grain size becomes larger and electrical mobility increases. The film grown with an In2O3 target power of 100 W displays the highest electrical mobility of 13.5 cm.V-1-s-1 and the lowest resistivity of 2.4× 10^-3 Ω.cm. The average optical transmittance of the IZO thin film in the visible region reaches 80% and the band gap broadens with the increase of In2O3 target power, which is attributed to the increase in carrier concentration and is in accordance with Burstein-Moss shift theory.

Effect of Copper-vacancy on the Electrical,Optical and Thermoelectric Properties of CuInTe2 by the First-principles Study

The effects of copper-vacancy on the electrical, optical and thermoelectric properties of CuInTe2 have been investigated by the first-principles calculations and semi-classical Boltzmann theory. The estimated results of copper vacancy formation energies for Cu1-xn Te2(x = 0,1/16, 1/8 and 1/4) showed it is more difficult to prepare the sample with higher copper vacancy concentration. From the calculated energy band structures with MBJ-GGA, it can be seen that they are p-type semiconductors and the energy gap values increase with the vacancy concentration increasing. The wavelength is smaller than 460 nm, and the high copper vacancy concentration(x =1/4) is helpful to the values of absorption coefficient, while above 460 nm, the lower copper vacancy concentration(x = 1/16) is able to enhance the absorption coefficient. The lower copper vacancy concentration(x = 1/16) is more favorable to improve the power factor in low or middle temperature. However, the high copper vacancy concentration(x = 1/4) is better in high temperature. These results give hints for the design of CuInTe2 as the good photovoltaic and thermoelectric materials.