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.

First‑principles study on electronic structure,optical and magnetic properties of rare earth elements X(X=Sc,Y,La,Ce,Eu)doped with two‑dimensional GaSe

The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity functional theory.The results show that intrinsic 2D GaSe is a p-type nonmagnetic semiconductor with an indi-rect bandgap of 2.6611 eV.The spin-up and spin-down channels of Sc-,Y-,and La-doped 2D GaSe are symmetric,they are non-magnetic semiconductors.The magnetic moments of Ce-and Eu-doped 2D GaSe are 0.908μ_(B)and 7.163μ_(B),which are magnetic semiconductors.Impurity energy levels appear in both spin-up and spin-down chan-nels of Eu-doped 2D GaSe,which enhances the probability of electron transition.Compared with intrinsic 2D GaSe,the static dielectric constant of the doped 2D GaSe increases,and the polarization ability is strengthened.The ab-sorption spectrum of the doped 2D GaSe shifts in the low-energy direction,and the red-shift phenomenon occurs,which extends the absorption spectral range.The optical reflection coefficient of the doped 2D GaSe is improved in the low energy region,and the improvement of Eu-doped 2D GaSe is the most obvious.

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.

The Mechanical and Electrical Properties of the Smart Aggregate Based on the Mixed Cementitious Materials

Cement and resin were designed as mixed cementitious materials to study the smart aggregate(SA)of smart concrete.Carbon fiber(CF)and surfactant were taken into consideration to adjust the mechanical and electrical properties of smart aggregate(SA)in this issue.The experimental results indicate that the flexibility and mechanical properties of SA can be improved by using such mixed cementitious materials.It is shows that,although the compressive strength and flexural strength can be enhanced effectively by using resin and CF,the electrical conductivity decreases significantly,which is because the water molecules are difficult to penetrate through the mixture materials so the hydration reaction of cement can not fully carry out.However,the electrical conductivity can be improved by adding the surfactant,and the strength and mechanical electrical properties can be adjusted effectively by the surfactant.

Structure and electrical properties of polysilicon films doped with ammonium tetraborate tetrahydrate

Here,p-type polysilicon films are fabricated by ex-situ doping method with ammonium tetraborate tetrahydrate(ATT)as the boron source,named ATT-pPoly.The effects of ATT on the properties of polysilicon films are comprehensively analyzed.The Raman spectra reveal that the ATT-pPoly film is composed of grain boundary and crystalline regions.The preferred orientation is the(111)direction.The grain size increases from 16−23 nm to 21−47 nm,by~70%on average.Comparing with other reported films,Hall measurements reveal that the ATT-pPoly film has a higher carrier concentration(>10^(20)cm^(−3))and higher carrier mobility(>30 cm2/(V·s)).The superior properties of the ATT-pPoly film are attributed to the heavy doping and improved grain size.Heavy doping property is proved by the mean sheet resistance(Rsheet,m)and distribution profile.The R_(sheet,m)decreases by more than 30%,and it can be further decreased by 90%if the annealing temperature or duration is increased.The boron concentration of ATT-pPoly film annealed at 950℃ for 45 min is~3×10^(20)cm^(−3),and the distribution is nearly the same,except near the surface.Besides,the standard deviation coefficient(σ)of Rsheet,m is less than 5.0%,which verifies the excellent uniformity of ATT-pPoly film.

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.

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.

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.

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.

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.

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.

Electronic properties of 2D materials and their junctions

With an extensive range of distinctive features at nano meter-scale thicknesses,two-dimensional(2D)materials drawn the attention of the scientific community.Despite tremendous advancements in exploratory research on 2D materials,knowledge of 2D electrical transport and carrier dynamics still in its infancy.Thus,here we highlighted the electrical characteristics of 2D materials with electronic band structure,electronic transport,dielectric constant,carriers mobility.The atomic thinness of 2D materials makes substantially scaled field-effect transistors(FETs)with reduced short-channel effects conceivable,even though strong carrier mobility required for high performance,low-voltage device operations.We also discussed here about factors affecting 2D materials which easily enhanced the activity of those materials for various applications.Presently,Those 2D materials used in state-of-the-art electrical and optoelectronic devices because of the extensive nature of their electronic band structure.2D materials offer unprecedented freedom for the design of novel p-n junction device topologies in contrast to conventional bulk semiconductors.We also,describe the numerous 2D p-n junctions,such as homo junction and hetero junction including mixed dimensional junctions.Finally,we talked about the problems and potential for the future.

Assembly of functional carboxymethyl cellulose/polyethylene oxide/anatase TiO_(2) nanocomposites and tuning the dielectric relaxation, optical, and photoluminescence performances

Nanocomposite films consisting of carboxymethyl cellulose,polyethylene oxide(CMC/PEO),and anatase titanium diox-ide(TO)were produced by the use of sol-gel and solution casting techniques.TiO2 nanocrystals were effectively incorporated into CMC/PEO polymers,as shown by X-ray diffraction(XRD)and attenuated total reflectance fourier transform infrared(ATR-FTIR)analysis.The roughness growth is at high levels of TO nanocrystals(TO NCs),which means increasing active sites and defects in CMC/PEO.In differential scanning calorimetry(DSC)thermograms,the change in glass transition temperature(Tg)val-ues verifies that the polymer blend interacts with TO NCs.The increment proportions of TO NCs have a notable impact on the dielectric performances of the nanocomposites,as observed.The electrical properties of the CMC/PEO/TO nanocomposite undergo significant changes.The nanocomposite films exhibit a red alteration in the absorption edge as the concentration of TO NCs increases in the polymer blend.The decline in the energy gap is readily apparent as the weight percentage of TO NCs increases.The photoluminescence(PL)emission spectra indicate that the sites of the luminescence peak maximums show slight variation;peaks get wider,while their intensities decrease dramatically as the concentration of TO increases.These nanocomposite materials show potential for multifunctional applications including optoelectronics,antireflection coatings,pho-tocatalysis,light emitting diodes,and solid polymer electrolytes.

Achieving Synergistic Improvement in Dielectric and Energy Storage Properties of All-Organic Poly(Methyl Methacrylate)-Based Copolymers Via Establishing Charge Traps

How to achieve synergistic improvement of permittivity(ε_(r))and breakdown strength(E_(b))is a huge challenge for polymer dielectrics.Here,for the first time,theπ-conjugated comonomer(MHT)can simultaneously promote theε_(r)and E_(b)of linear poly(methyl methacrylate)(PMMA)copolymers.The PMMA-based random copolymer films(P(MMA-co-MHT)),block copolymer films(PMMA-b-PMHT),and PMMA-based blend films were prepared to investigate the effects of sequential structure,phase separation structure,and modification method on dielectric and energy storage properties of PMMA-based dielectric films.As a result,the random copolymer P(MMA-coMHT)can achieve a maximumε_(r)of 5.8 at 1 kHz owing to the enhanced orientation polarization and electron polarization.Because electron injection and charge transfer are limited by the strong electrostatic attraction ofπ-conjugated benzophenanthrene group analyzed by the density functional theory(DFT),the discharge energy density value of P(MMA-co-PMHT)containing 1 mol%MHT units with the efficiency of 80%reaches15.00 J cm^(-3)at 872 MV m^(-1),which is 165%higher than that of pure PMMA.This study provides a simple and effective way to fabricate the high performance of polymer dielectrics via copolymerization with the monomer of P-type semi-conductive polymer.

Paraelectric Doping Simultaneously Improves the Field Frequency Adaptability and Dielectric Properties of Ferroelectric Materials:A Phase-Field Study

Recent years,the polarization response of ferroelectrics has been entirely studied.However,it is found that the polarization may disappear gradually with the continually applied of electric field.In this paper,taking K0.48Na0.52NbO3(KNN)as an example,it was demonstrated that the residual polarization began to decrease when the electric field frequency increased to a certain extent using a phase-field methods.The results showed that the content of out-of-plane domains increased first and then decreased with the increase of applied electric field frequency,the maximum polarization disappeared at high frequencies,and the hysteresis loop became elliptical.In order to further study the abnormal changes of hysteresis loops of ferroelectrics under high electric field frequency,we analyzed the hysteresis loop and dielectric response of solid solution 0.1SrTiO_(3)-0.9K_(0.48)Na_(0.52)NbO_(3).It was found that the doped hysteresis loop maintained its shape at higher frequency and the dielectric constant increased.This kind of doping has a higher field frequency adaptability,which has a key guiding role in improving the dielectric properties of ferroelectric thin films and expanding the frequency application range of ferroelectric nano memory。