First-principles study of the structural,elastic, and optical properties for Sr0.5Ca0.5TiO3

A detailed theoretical study of the structural, elastic, and optical properties for Sr0.5Ca0.5TiO3 is carried out by first- principles calculations. The band structure exhibits a direct bandgap of 2.08 eV at the F point in the Brillouin zone. The bulk modulus, shear modulus, Young＇s modulus, and Poisson＇s ratio are derived based on the calculated elastic constants. The bulk modulus B = 153 GPa and shear modulus G = 81GPa are in good agreement with available experimental data. Poisson＇s ratio v = 0.275 suggests that Sr0.sCa0.sTiO3 should be classified as being a ductile material. Using the electronic band structure and density of states, we analyze the interband contribution to the optical properties. The real and imaginary parts of the dielectric function, as well as the optical properties such as the optical absorption coefficient, refractive index, extinction coefficient, and energy-loss spectrum are calculated. The static dielectric constant ε1 （0） and the refractive index n（0） are also investigated.     

High performance pentacene organic field-effect transistors consisting of biocompatible PMMA/silk fibroin bilayer dielectric

Pentacene organic field-effect transistors （OFETs） based on single- or double-layer biocompatible dielectrics of poly（methyl methacrylate） （PMMA） and/or silk fibroin （SF） are fabricated. Compared with those devices based on sin- gle PMMA or SF dielectric or SF/PMMA bilayer dielectric, the OFETs with biocompatible PMMA/SF bilayer dielectric exhibit optimal performance with a high field-effect mobility of 0.21 cm2/Vs and a current on/off ratio of 1.5 × 104. By investigating the surface morphology of the pentacene active layer through atom force microscopy and analyzing the elec- trical properties, the performance enhancement is mainly attributed to the crystallization improvement of the pentacene and the smaller interface trap density at the dielectric/organic interface. Meanwhile, a low contact resistance also indicates that a good electrode/organic contact is formed, thereby assisting the performance improvement of the OFET.     

Photocatalytic degradation of methyl orange by nano-TiO_2 thin films prepared by RF magnetron sputtering

Nano-TiO2 thin films are deposited by radio frequency （RF） magnetron sputtering using TiO2 ceramic target and characterized by X-ray diffractometer, atomic force microscope, and ultraviolet-visible spectrophotometer. The photocatalytic activity is evaluated by light-induced degradation of methyl orange solutions （5, 10, and 20 ppm） using a high pressure mercury lamp as the light source. The film is amorphous, and its energy gap is 3.02 eV. The photocatalytic degradation of methyl orange solution is the first-order reaction and the apparent reaction rate constants are 0.00369, 0.0024, and 0.00151 for the methyl orange solution concentrations of 5, 10, and 20 ppm, respectively.     

High and low frequency relaxation oscillations in a capacitive discharge plasma

Both high and low frequency relaxation oscillations have been observed in an argon capacitive discharge connected to a peripheral grounded chamber through a slot with dielectric spacers. The oscillations, observed from time-varying optical emission of the main discharge chamber, show, for example, a high frequency （46 kHz） relaxation oscillation at 100 mTorr, with an absorbed power near the peripheral breakdown, and a low frequency （2.7-3.7 Hz） oscillation, at a higher absorbed power. The high frequency oscillation is found to ignite a plasma in the slot, but usually not in the periphery. The high frequency oscillation is interpreted by using an electromagnetic model of the slot impedance, combined with the circuit analysis of the system including a matching network. The model is further developed by using a parallel connection of variable peripheral capacitance to analyse the low frequency oscillation. The results obtained from the model are in agreement with the experimental observations and indicate that a variety of behaviours are dependent on the matching conditions.     

Growth,defects,and properties of GdCa4O（BO3）3 and Nd：GdCa4O（BO3）3 crystals

Pure and neodymium-doped gadolinium calcium oxoborate crystals of high quality were grown by the Czochralski method.The orientation of crystal was precisely determined,and the samples for measurements were prepared.Through synchrotron x-ray topography and high-resolution x-ray diffractometry,the twin structure was discovered.Some properties such as the figure of merit value,and dielectric,piezoelectric,and elastic constants were meausured along with a discussion of the anisotropy of the laser properties.     

Spectroscopy and Optical Properties of Novel Metal（Ⅱ）-Azo Complex Films in Blue-Violet Light Region

A novel azo derivative,α-（2-azoxyisoxazole)-β-diketone derivative (ADD),and its copper (Ⅱ） and nickel （Ⅱ） complex (CuADD and NiADD) films have been prepared respectively by spin-coated method.The absorption spectra of the films on a K9 glass substrate in the 300-800 nm wavelength region have been measured.The optical constants (complex refractive index N=n iκ） and thickness of the complex films on a single-crystal silicon substrate in the 300-600nm wavelength region have been investigated on an improved rotating analyser-polariser (RAP) type of scanning ellipsometer,and the dielectric constants ε（ε=ε1 iε2),absorption coefficients α as well as reflectance R of the films were calculated.It is found that the absorption maxima of the ADD,CuADD and NiADD films are at 324nm,372nm and 385nm,respectively,and small absorption values and steep absorption band edges of the CuADD and NiADD films are observed at the 405nm side;The CuADD and NiADD films give high n values of 2.08 and 1.98,and low κ values of 0.2 and 0.28,respectively,at 405nm,and their thicknesses are in the range of 130-150nm;the high reflectivity of 58.5% and 45.5% of the CuADD and NiADD films with Ag as a reflective layer were obtained at the film thicknesses of 70 nm and 80nm respectively.These results show that the novel CuADD and NiADD films seem to be a very promising organic recording material for the next generation of high density digital versatile disc-recordable (HD-DVD-R) systems that use a high numerical aperture of 0.85 at 405nm wavelength.     

Fabrication and characteristics of silicon-rich oxide thin films with controllable compositions

Silicon-rich oxide films with controllable optical constants and properties are deposited by the reactive magnetron sputtering method on a Si target. The O/Si atomic ratio x of SiO_x is tuned from 0.12 to 1.84 by adjusting the oxygen flow rate,which is found to be a more effective way to obtain SiO_x films compared with changing the oxygen content [O_2∕(Ar+O_2) ratio]. The optical properties of Si Oxfilms can be tuned from semiconductor to dielectric as a function of ratio x. The structures and components are also investigated by an x ray photoelectron spectroscopy analysis of the Si 2p core levels,the results of which exhibit that the structures of SiO_x can be thoroughly described by the random bonding model.     

Broadband and high efficiency metal multi-layer dielectric grating based on non-quarter-wave coatings as a reflective mirror

This article deals with designing a broadband and high efficiency metal multi-layer dielectric grating (MMDG) used to compress and stretch an ultrashort laser pulse. The diffraction characteristics of the MMDG are analysed by using the rigorous coupled-wave method. The multi-layer dielectric used as the reflective mirror is made up of non- quarter-wave coatings. Taking the diffraction efficiency of the 1 order as the value of merit function, the parameters such as groove depth, residual thickness, duty cycle, and reflective mirror are optimized to obtain broadband and high diffraction efficiency. The optimized MMDG shows an ultra-broadband working spectrum with the average efficiency exceeding 97% over 160 nm wavelength centred at 1053 nm and TE polarization. The optimized MMDG should be useful for chirped pulse amplification.     

High density Al2O3/TaN-based metal--insulator-- metal capacitors in application to radio frequency integrated circuits

Metal-insulator-metal （MIM） capacitors with atomic-layer-deposited Al2O3 dielectric and reactively sputtered TaN electrodes in application to radio frequency integrated circuits have been characterized electrically. The capacitors exhibit a high density of about 6.05 fF/μm^2, a small leakage current of 4.8 × 10^-8 A/cm^2 at 3 V, a high breakdown electric field of 8.61 MV/cm as well as acceptable voltage coefficients of capacitance （VCCs） of 795 ppm/V2 and 268ppm/V at 1 MHz. The observed properties should be attributed to high-quality Al2O3 film and chemically stable TaN electrodes. Further, a logarithmically linear relationship between quadratic VCC and frequency is observed due to the change of relaxation time with carrier mobility in the dielectric. The conduction mechanism in the high field ranges is dominated by the Poole-Frenkel emission, and the leakage current in the low field ranges is likely to be associated with trap-assisted tunnelling. Meanwhile, the Al2O3 dielectric presents charge trapping under low voltage stresses, and defect generation under high voltage stresses, and it has a hard-breakdown performance.     

Uniaxial stress influence on lattice, band gap and optical properties of n-type ZnO： first-principles calculations

The lattice,the band gap and the optical properties of n-type ZnO under uniaxial stress are investigated by firstprinciples calculations.The results show that the lattice constants change linearly with stress.Band gaps are broadened linearly as the uniaxial compressive stress increases.The change of band gap for n-type ZnO comes mainly from the contribution of stress in the c-axis direction,and the reason for band gap of n-type ZnO changing with stress is also explained.The calculated results of optical properties reveal that the imaginary part of the dielectric function decreases with the increase of uniaxial compressive stress at low energy.However,when the energy is higher than 4.0 eV,the imaginary part of the dielectric function increases with the increase of stress and a blueshift appears.There are two peaks in the absorption spectrum in an energy range of 4.0-13.0 eV.The stress coefficient of the band gap of n-type ZnO is larger than that of pure ZnO,which supplies the theoretical reference value for the modulation of the band gap of doped ZnO.     

Hopping Conductivity in a Single-Walled Carbon Nanotube Network

We investigate the resistance and magnetoresistance （MR） of an entangled single-walled carbon nanotube （SWNT） network. The temperature dependence of conductance is fitted by formula G（T） = Go exp[-（To/T）^1/2] with To = 15.8 K at a wide temperature range from 4 K to 300K. The MR defined by [R（T, H） - R（T, 0）]/ R（T, 0） as a function of temperature and magnetic field perpendicular to the tube axis is negative at low temperatures. The MR amplitude increases as the temperature decreases at relative high temperature, but becomes decrease when temperature below 4 K. The results are explained in terms of the coherent hopping of carriers in the presence of a Coulomb gap at low temperature.     

Effects of an applied low frequency field on the dynamics of a two-level atom interacting with a single-modefield

The effects of an applied low frequency field on the dynamics of a two-level atom interacting with a single-mode field are investigated. It is shown that the time evolution of the atomic population is mainly controlled by the coupling constants and the frequency of the low frequency field, which leads to a low frequency modulation function for the time evolution of the upper state population. The amplitude of the modulation function becomes larger as the coupling constants increase. The frequency of the modulation function is proportional to the frequency of the low frequency field, and decreases with increasing coupling constant.     

Ab initio calculations of the elastic, electronic, optical, and vibrational properties of PdGa compound under pressure

The structural, elastic, electronic, optical, and vibrational properties of cubic PdGa compound are investigated using the norm-conserving pseudopotentials within the local density approximation (LDA) in the framework of the density functional theory. The calculated lattice constant has been compared with the experimental value and has been found to be in good agreement with experimental data. The obtained electronic band structures show that PdGa compound has no band gap. The second-order elastic constants have been calculated, and the other related quantities such as the Young’s modulus, shear modulus, Poisson’s ratio, anisotropy factor, sound velocities, and Debye temperature have also been estimated. Our calculated results of elastic constants show that this compound is mechanically stable. Furthermore, the real and imaginary parts of the dielectric function and the optical constants such as the electron energy-loss function, the optical dielectric constant and the effective number of electrons per unit cell are calculated and presented in the study. The phonon dispersion curves are also derived using the direct method.     

Effective dielectric constant model of electromagnetic backscattering from stratified air–sea surface film–sea water medium

Studies of surface film medium on the sea surface are carried out in this paper for developing the technology to automatically detect and classify sea surface films, and an effective dielectric constant model of electromagnetic backscattering from a stratified air–ocean interface. Numerical results of the new model show the characteristics of effective dielectric constants for the air–sea surface film–sea water medium as follows. The effective dielectric constants decrease with increasing relative dielectric constants of the sea surface films. The effective dielectric constants decrease in horizontal polarization(abbr. HH polarization) and increase in VV vertical polarization(abbr. VV polarization) with increasing radar incident angle. Effective dielectric constants vary with relative sea surface film thickness as a cosinusoidal function of sea surface film thickness. Effective dielectric constant of VV polarization is larger than that of HH polarization. Two potential applications are found with our model, i.e., the retrieval of dielectric constants from the sea surface film, and the film thickness retrieval with our model. Our model has a highly significant influence on improving the technology related to the remote sensing of sea surface films.     

Comprehensive studies on dielectric properties of p-methoxy benzylidene p-decyl aniline with function of temperature and frequency in planar geometry: A potential nematic liquid crystal for display devices

The dielectric properties of the nematic mesophase, p-methoxy benzylidene p-decyl aniline(MBDA), measured in planar geometry with a function of frequency and temperature are investigated in detail. The complex dielectric permittivity(ε' and ε') is also studied at a bias voltage of 10 V for planar aligned sample cell of nematic mesophase. The dielectric permittivity with bias voltage attains a higher( 2 times) value than that without bias voltage at a temperature of 56℃,which is due to the fact that the linking group of nematic molecules is internally interacted with an applied bias voltage.This is supported by observing an enhanced dielectric permittivity of nematic liquid crystal(LC) in the presence of bias voltage, which can be fully explained as the increasing of the corresponding dipole moment. The dielectric relaxation behaviors of nematic LC are also demonstrated for planar aligned sample cell. The remarkable results are observed that the relaxation frequency shifts into low frequency region with the increase of the bias voltage applied to the planar aligned sample cells. The dielectric relaxation spectra are fitted by Cole–Cole nonlinear curve fitting for nematic mesophase in order to determine the dielectric strength.     

Bianchi Type-Ⅱ Inflationary Models with Stiff Matter and Decaying Cosmological Term

We deal with Einstein＇s field equations with a time-decaying cosmological term of the forms （i） ∧=β（a/a） ＋ α/a62 and （ii）∧ = α/a^2, where a is the average scale factor of the universe, α and β are constants for a spatially homogeneous and anisotropic LRS Bianchi type-Ⅱ spacetime. Exact solutions of the field equations for stiff matter are obtained by applying a special law of variation for the Hubble parameter. Anisotropic cosmological models are presented with a constant negative deceleration parameter which corresponds to the accelerated phase of the present universe. The cosmological constant A is obtained as a decreasing function of time that is approaching a small positive value at the present epoch, which is corroborated by the consequences from recent supernovae Ia observations. The physical and kinematical behaviors of the models are also discussed.     

A novel partial silicon on insulator high voltage LDMOS with low-k dielectric buried layer

A novel partial silicon-on-insulator (PSOI) high voltage device with a low-k (relative permittivity) dielectric buried layer (LK PSOI) and its breakdown mechanism are presented and investigated by MEDICI.At a low k value the electric field strength in the dielectric buried layer (E I) is enhanced and a Si window makes the substrate share the vertical drop,resulting in a high vertical breakdown voltage;in the lateral direction,a high electric field peak is introduced at the Si window,which modulates the electric field distribution in the SOI layer;consequently,a high breakdown voltage (BV) is obtained.The values of EI and BV of LK PSOI with kI=2 on a 2 μm thick SOI layer over 1 μm thick buried layer are enhanced by 74% and 19%,respectively,compared with those of the conventional PSOI.Furthermore,the Si window also alleviates the self-heating effect.     

The response of temperature and hydrostatic pressure of zinc-blende GaxIn1-xAs semiconducting alloys

<正>The electronic band structure of Ga_xIn_1-xAs alloy is calculated by using the local empirical pseudo-potential method including the effective disorder potential in the virtual crystal approximation.The compositional effect of the electronic energy band structure of this alloy is studied with composition x ranging from 0 to 1.Various physical quantities such as band gaps,bowing parameters,refractive indices,and high frequency dielectric constants of the considered alloys with different Ga concentrations are calculated.The effects of both temperature and hydrostatic pressure on the calculated quantities are studied.The obtained results are found to be in good agreement with the available experimental and published data.     

Optical Constants of SiO2 Films Deposited on Si Substrates

SiO2 films were deposited on single-crystalline silicon substrates by ion beam sputtering technology. Optical constants of SiO2 films are calculated from spectroscopic ellipsometry data, transmittance spectra and reflectance spectra by WVASE32 software, and the best fitted method is oStained for calculating optical constants of dielectric materials in the ultraviolet-visible-infrared （UV-VIS-IR） range. In the UV-VIS-NIR spectral range, refractive indices of SiO2 films are calculated separately by both ellipsometry data and reflectance spectra, and the obtained results are almost the same. Complex dielectric functions of SiO2films in the IR spectral range are accurately calculated with infrared transmission spectra using the GenOsc model. The obtained accuracy complex refractive index of SiO2 films in the wavelength region from 0.19μm to 25 #m is of great importance for the design of high quality coatings, such as ultra-low loss coating.     

Bipolar resistive switching in BiFe_(0.95)Zn_(0.05)O_3 films

Bipolar resistive switching is studied in BiFe0.95Zn0.05O3 films prepared by pulsed laser deposition on （001） SrTiO3 substrate, with LaNiO3 as the bottom electrode, and Pt as the top electrode. Multiple steps of resistance change are ob- served in the resistive switching process with a slow voltage sweep, indicating the formation/rupture of multiple conductive filaments. A resistive ratio of the high resistance state （HRS） to the low resistance state （LRS） of over three orders of mag- nitude is observed. Furthermore, the conduction mechanism is confirmed to be space-charge-limited conduction with the Schottky emission at the interface with the top Pt electrodes in the HRS, and Ohmic in the LRS. Impedance spectroscopy demonstrates a conductive ferroelectric/interfacial dielectric 2-layer structure, and the formation/rupture of the conductive filaments mainly occurs at the interfacial dielectric layer close to the top Pt electrodes.