激光辐照引起Ge_2Sb_2Te_5非晶态薄膜的电/光性质变化

研究了激光辐照引起Ge2Sb2Te5非晶态薄膜的电/光性质变化,当激光功率为580mW时薄膜的方块电阻有四个数量级（10^7～10^3Ω/□）的突变;对电阻发生突变前、中、后的三个样品进行了XRD测试,结果表明,随着激光功率的增大,薄膜由非晶态向晶态转变,用椭偏仪测试了结构转变前、中、后三个样品的光学常数,在可见光范围内薄膜的光学常数在波长相同情况下有：n（非晶态）〉n（中间态）〉n（晶态）,k（晶态）〉k（中间态）〉k（非晶态）,α（晶态）〉α（中间态）〉α（非晶态）,结合电阻变化曲线和XRD图谱讨论了激光辐照Ge2Sb2Te5非晶态薄膜的电/光性质变化同激光功率和结构转变之间的关系.

沉积温度对Ge_2Sb_2Te_5溅射薄膜结构、电/光性质的影响(英文)

在衬底加热条件下利用磁控溅射法制备Ge2Sb2Te5薄膜,利用X射线衍射仪表征各种沉积温度下薄膜的结构,差示扫描量热法(DSC)确定的薄膜晶化温度为168℃(加热升温速率为5℃/min)。用四探针法测试薄膜的方块电阻,分光光度计测试薄膜的反射率谱,并根据反射率数据讨论在波长为405和650nm时薄膜的反射率对比度同沉积温度关系。结果表明:室温沉积的薄膜为非晶态;在衬底温度为140℃条件下薄膜已完全转变为晶态Ge2Sb2Te5,在300℃时出现少量的六方相;低于140℃时易形成非Ge2Sb2Te5组分的其它晶相,它们对薄膜的电/光性质有很大的影响,可能是导致此类相变光存储薄膜使用过程中反射率对比度下降的原因。

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.

Influence of Substrate Temperature and Nitrogen Gas on Zinc Nitride Thin Films Prepared by RF Reactive Sputtering

Zinc nitride （Zn3N2） thin films were prepared by radio frequency （RF） magnetron sputtering on quartz glass at different substrate temperatures.The structure and composition were characterized by X-ray diffraction and Raman-scattering measurements,respectively.The polycrystalline phase Zn3N2 films appeared when the ratio of the N2 partial pressure to the total pressure reached 1/2.The effects of the substrate temperature on the electrical and optical properties of the Zn3N2 films were investigated by Hall measurements and optical transmission spectra.The electrical and optical properties of the films were highly dependent on the substrate temperature.With the substrate temperature increasing from 100 to 300℃,the resistivity of the Zn3N2 films decreased from 0.49 to 0.023Ω·cm,the carrier concentration increased from 2.7×10^16 to 8.2×10^19cm^-3,and the electron mobility decreased from 115 to 32cm^2/（V·s）.The deposited Zn3N2 films were considered to be n-type semiconductors with a direct optical band gap,which was around 1.23eV when the substrate temperature was 200℃.

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.

Carbon, Nitrogen, and Chalcogen Substitution Effects on 2,1,3-Benzothiadiazole Derivative： Theoretical Investigations of Electronic, Optical, and Charge Transport Properties

A series of CH2, NH, O, and Se substituted 2,1,3-benzothiadiazote derivatives have been designed and investigated computationally to elucidate their potential as organic light-emitting materials for organic light-emitting diodes. Both ab initio Hartree-Foek and hybrid density functional methods are used. It is found that S by CH2, NH, O, and Se makes it possible transport properties of the pristine molecule adjusting the central aromatic ring by replacing to fine-tune the electronic, optical, and charge

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.

Effect of Pressure on Electronic Structures and Optical Properties of Rocksalt InN

The electronic structures and optical properties of rocksalt indium nitride （INN） under pressure were studied using the first-principles calculation by considering the exchange and correlation potentials with the generalized gradient approximation. The calculated lattice constant shows good agreement with the experimental value. It is interestingly found that the band gap energy Eg at the F or X point remarkably increases with increasing pressure, but Eg at the L point does not increase obviously. The pressure coefficient of Eg is calculated to be 44 meV/GPa at the F point. Moreover, the optical properties of rocksalt InN were calculated and discussed based on the calculated band structures and electronic density of states.

First principles calculation on ternary stannide phase narrow band gap semiconductor Na_2MgSn

The electronic structures,chemical bonding,elastic and optical properties of the ternary stannide phase Na2MgSn were investigated by using density-fimctional theory（DFT） within generalized gradient approximation（GGA）.The calculated energy band structures show that Na2MgSn is an indirect semiconductor material with a narrow band gap 0.126 eV.The density of state（DOS）and the partial density of state（PDOS） calculations show that the DOS near the Fermi level is mainly from the Na 2p,Mg 3p and Sn5 p states.Population analysis suggests that there are strongly bonded Mg-Sn honeycomb layers in Na2MgSn.Basic physical properties,such as lattice constant,bulk modulus,shear modulus,elastic constants c（ij） were calculated.The elastic modulus E and Poisson ratio v were also predicted.The results show that Na2MgSn is mechanically stable soft material and behaves in a brittle manner.Detailed analysis of all optical functions reveals that Na2MgSn is a better dielectric material,and reflectivity spectra show that Na2MgSn promise as good coating materials in the energy regions 6.24-10.49 eV.

Influence of Triarylamine and Indoline as Donor on Photovoltaic Performance of Dye-Sensitized Solar Cells Employing Cobalt Redox Shuttle

Two organic dyes XSS1 and XS52 derivated from triarylamine and indoline are synthesized for dye-sensitized solar ceils （DSCs） employing cobalt and iodine redox shuttles. The effects of dye structure upon the photophysical, electro-chemical characteristics and cell perfor- mance are investigated. XS51 with four hexyloxyl groups on triarylamine performs better steric hindrance and an improvement of photovoltage. X852 provides higher short-circuit photocurrent density due to the strong electron-donating capability of indoline unit. The results from the redox electrolyte on cell performances indicate that the synthesized dyes are more suitable for tris（1,10-phenanthroline）cobalt（II/III） redox couple than I-/I3- redox couple in assembling DSCs. Application of X852 in the cobalt electrolyte yields a DSC with an overall power conversion efficiency of 6.58% under AM 1.5 （100 mW/cm2） irradiation.

Impact of Oxygen Vacancy on Band Structure Engineering of n-p Codoped Anatase TiO2

Doping with various impurities is an effective approach to improve the photoelectrochemical properties of TiO2. Here, we explore the effect of oxygen vacancy on geometric and elec- tronic properties of compensated （i.e. V-N and Cr-C） and non-compensated （i.e. V-C and Cr-N） codoped anatase TiO2 by performing extensive density functional theory calculations. Theoretical results show that oxygen vacancy prefers to the neighboring site of metal dopant （i.e. V or Cr atom）. After introduction of oxygen vacancy, the unoccupied impurity bands located within band gap of these codoped TiO2 will be filled with electrons, and the posi- tion of conduction band offset does not change obviously, which result in the reduction of photoinduced carrier recombination and the good performance for hydrogen production via water splitting. Moreover, we find that oxygen vacancy is easily introduced in V-N codoped TiO2 under O-poor condition. These theoretical insights are helpful for designing codoped TiO2 with high photoelectrochemical performance.

Synthesis and photophysical and electrochemical properties of new cyclometalated platinum complex containing oxadiazole ligand

A new cyclometalated platinum complex containing 2, 5-bis(naphthalene-1-yl)-1,3,4-oxadiazole ligand was synthesized and characterized. The UV-Vis absorptions and photoluminescent properties of the ligand and its platinum complex were investigated. A characteristic metal-ligand charge transfer absorption peak at 439 nm in the UV spectrum and a strong emission peak at 625 nm in the photoluminescence spectrum were observed for this complex in dichloromethane. Cyclic voltammtry (CV) analysis shows that the EHOMO (energy level of the highest occupied molecular orbital) and ELUMO (energy level of the lowest unoccupied molecular orbital) of the platinum complex are about 、5.69 and 、3.25 eV, respectively, indicating that the oxadiazole-based platinum complex has a potential application in electrophosphorescent devices used as a red-emitting material.

Properties of fluoride film and its effect on electroless nickel deposition on magnesium alloys

The physical characteristics and microstructure of the fluoride film formed during activation were investigated using SEM,XPS and SAM,and its stability in electroless nickel(EN) bath was analyzed.The effects of the fluoride film on EN deposition were studied additionally.The results show that the fluoride film on magnesium alloys is a kind of porous film composed of MgF2 with thickness of 1.6-3.2 μm.The composition of the activation bath and pretreatment of EN processing have influence on the composition of the fluoride film.The fluoride is stable and dissolves little in EN bath;as a result,the fluoride film can protect magnesium substrate from the corrosion of EN bath.The composition of fluoride determines the initial deposition of EN and part of the fluoride film finally exists as inclusion in EN coating.

Electronic and optical properties of anion-doped c-ZrO_2 from first-principles calculations

Using the first-principles calculations based on density functional theory(DFT),the structure stability,electronic and some optical properties of C and N doped cubic ZrO2(c-ZrO2) in 24-atom systems were investigated.It is found from the formation energies calculations that N ions are easier to be doped into c-ZrO2 than C ions.The electronic structure results show that Zr8O15C and Zr8O15N systems are semiconductors with the band gap of 2.3 eV and 2.8 eV,respectively,which are lower than that of the pure ZrO2(3.349 eV).And optical properties results depict that anion doping,especially C adding,can enhance the static dielectric function,visible and ultraviolet light absorption and reflecting ability of c-ZrO2 crystal.

Effects of structures of molybdenum catalysts on selectivity in gas-phase propylene oxidation

Molybdenum-based catalysts for the gas-phase oxidation of propylene with air were investigated. Various types of silica-supported molybdenum oxide and molybdenum-bismuth mixed oxide cata- lysts were prepared from inorganic and organometallic molybdenum precursors using wet impregnation and physical vapor deposition methods. The epoxidation activities of the prepared cata- lysts showed direct correlations with their nanostructures, which were identified using transmission electron microscopy. The appearance of a partly or fully crystalline molybdenum oxide phase, which interacted poorly with the silica support, decreased the selectivity for propylene oxide for- mation to below 10%; non-crystalline octahedrally coordinated molybdenum species anchored on the support gave propylene oxide formations greater than 55%, with 11% propylene conversion. Electrochemical characterization of molybdenum oxides with various morphologies showed the importance of structural defects. Direct promotion by bismuth of the epoxidation reactivities over molybdenum oxides is disputed.

Electronic Structure and Optical Properties of Antimony-Doped SnO_2 from First-Principle Study

A first-principles study has been performed to calculate the electronic and optical properties of the SbxSn1xO system.The simulations are based upon the method of generalized gradient approximations with the Perdew-Burke-Ernzerhof form in the framework of density functional theory.The supercell structure shows a trend from expanding to shrinking with the increasing Sb concentration.The increasing Sb concentration induces the band gap narrowing.Optical transition has shifted to the low energy range with increasing Sb concentration.Other important optical constants such as the dielectric function,reflectivity,refractive index,and electron energy loss function for Sb-doped SnO2 are discussed.The optical absorption edge of SnO2 doped with Sb also shows a redshift.

The Electro-Physical Properties of Rhenium Chalcogenides＇ Thin Films

The electro-physical properties of thin layers of rhenium chalcogenides＇ alloys, their dynamical and static ampere-voltaic characteristics were investigated. During the investigation of static and dynamical ampere-voltaic characteristics of rectifying contact of aluminium and rhenium chalcogenides＇ alloys the switching effects were found.

Fabrication of GaAs/Si Heterostructures and Their Photoelectric Properties

Fabrication of GaAs/Si heterostructures and their photoelectric properties are investigated by Raman, photoluminescence and Hall-effect measurements. The crystallinity of GaAs epilayers grown on Si substrate is significantly affected by the substrate orientation and the growth method. The photoelectric properties of GaAs epilayers grown on Si (211) substrates deposited by using a two-step growth method are improved. These results indicate that GaAs epilayers grown on Si (100) and Si (211) substrates by using two-step growth method are promising for potential applications in high-speed and high-frequency photoelectric devices.

Effects of heavy metal on dielectric properties of E. coli revealed by dielectric spectroscopy

Dielectric spectroscopy of E. coli cell before and after exposure to heavy metals Cd^2＋ , Cu^2＋ , Zn^2＋ and Ca^2＋ was investigated. The results indicate that changes in dielectric spectra reflect effects of heavy metal on the structure and function of E. coli cells. Heavy metal can change membrane capacitance as well as pennittivity and conductivity of the cytoplasm. Changes in volume fraction suggested that dielectric measurement could monitor the growth of E. coli cells. These results demonstrated that dielectric spectroscopy was a potential effective technique for studying electric properties of biological cells.