First-principles studies of the electronic structure and optical properties of AgBO<Subscript>3</Subscript> (B=Nb,Ta) in the paraelectric phase

The electronic energy-band structure, density of states (DOS), and optical properties of AgBO₃ in the paraelectric cubic phase have been studied by using density functional theory within the local density approximation for exchange-correlation for the first time. The band structure shows a band gap of 1.533 eV (AgNbO₃)and 1.537 eV (AgTaO₃)at (M-⌈)point in the Brillouin zone. The optical spectra of AgBO₃ in the photon energy range up to 30 eV are investigated under the scissor approximation. The real and imaginary parts of the dielectric function and — thus the optical constants such as reflectivity, absorption coefficient, electron energy-loss function, refractive index, and extinction coefficient — are calculated. We have also made some comparisons with related experimental and theoretical data that is available.      

Lithium ion conductive glass–ceramics with Li3Fe2(PO4)3 and YAG laser-induced local crystallization in lithium iron phosphate glasses

The glasses with the composition of 37.5Li₂O–(25 − x)Fe₂O₃–xNb₂O₅–37.5P₂O₅ (mol%) (x = 5,10,15) are prepared, and it is found that the addition of Nb₂O₅ is effective for the glass formation in the lithium iron phosphate system. The glass–ceramics consisting of Nasicon-type Li₃Fe₂(PO₄)₃ crystals with an orthorhombic structure are developed through conventional crystallization in an electric furnace, showing electrical conductivities of 3 × 10^− 6 Scm^− 1 at room temperature and the activation energies of 0.48 eV (x = 5) and 0.51 eV (x = 10) for Li⁺ ion conduction in the temperature range of 30–200 °C. A continuous wave Nd:YAG laser (wavelength: 1064 nm) with powers of 0.14–0.30 W and a scanning speed of 10 μm/s is irradiated onto the surface of the glasses, and the formation of Li₃Fe₂(PO₄)₃ crystals is confirmed from XRD analyses and micro-Raman scattering spectra. The crystallization of the precursor glasses is considered as new route for the fabrication of Li₃Fe₂(PO₄)₃ crystals being candidates for use as electrolyte materials in lithium ion secondary batteries.     

Fe掺杂量对双层复合结构BaTi1-zFezO3+δ-Tb1-xDyxFe2-y中磁电耦合的影响

采用溶胶凝胶方法制备了Fe掺杂钛酸钡多晶系列陶瓷BaTi_1-zFe_zO_3+δ(0.005≤z≤0.02) (BTFO).X射线衍射实验显示,所制备的BTFO的结构仍然为四方相钙钛矿.差热分析表明,该BTFO样品的铁电-顺电转变温度及相变潜热随掺杂量z的增加而下降.将该BTFO极化后与Tb_1-xDy_xF 关键词： 磁电耦合 掺杂效应 掺杂钛酸钡     

Er^3＋：Y2O3透明陶瓷制备及发光性质研究

以Y2O3为基质材料,掺杂不同含量的Er3 ,采用共沉淀法制备出性能良好的Er3 :Y2O3纳米粉,并将粉体在1 700℃和真空度为1×10-3Pa下烧结8 h得到Er3 :Y2O3透明陶瓷.用X射线衍射仪(D/MAX-RB)、透射电子显微镜(EM420)、自动记录分光光度计(DMR-22)、荧光分析仪(F-4500)和发射波长为980 nm的半导体激光器分别对样品的结构、形貌和发光性能进行了研究.结果表明:Er3 完全固溶于Y2O3的立方晶格中,Er3 :Y2O3粉体大小均匀,近似球形,尺寸约40～60 nm左右.Er3 :Y2O3透明陶瓷相对密度为99.8%,在长波长范围内其透光率超过60%,在波长为980 nm的激光下有两个上转换发光带,其中绿色发光中心波长位于562 nm,红色发光中心波长位于660 nm,分别对应4S3/2/2H11/2→4I15/2和4F9/2→4I15/2的跃迁;随着铒浓度的提高颜色从绿色向红色转变,Er3 的掺杂浓度不宜超过2%,超过这个范围,对材料发光强度的增强作用反而很小.     

Up-conversion white light of Tm/Er/Yb tri-doped CaF2 phosphors

Tm³⁺/Er³⁺/Yb³⁺ tri-doped CaF₂ phosphors were synthesized using a hydrothermal method. The phosphors were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), and up-conversion (UC) emission spectra. After annealing, the phosphors emitted white light under a 980 nm continuous wave diode laser (CW LD 2 W) excitation. As the excitation power density changed in the range of 20-260 W/cm², the chromaticity coordinates of the UC light of the phosphor Ca_0.885Tm_0.005Er_0.01Yb_0.1F₂ fell well in the white region of the 1931 CIE diagram. For the proportion of red, green and blue (RGB) in white light is strict, key factors for achieving UC white light, such as host materials, rare earth ions doping concentrations, annealing temperatures, as well as the excitation power densities, were investigated and discussed.     

Depth-controlled reconstruction of 3D integral image using synthesized intermediate sub-images

In this paper, we propose a method that controls the depth of the three-dimensional (3D) object existing over the depth-of-focus in integral imaging. The depth control method is performed only in a computer by synthesizing the intermediate sub-images between original sub-images obtained by transforming the captured elemental images. In the reconstruction process, we can obtain reconstructed 3D images with the better image quality within depth-of-focus than that reconstructed over the depth-of-focus. To demonstrate the feasibility of our method, optical and computational experiments are carried out and its results are presented.     

Effects of CeO2-ZrO2 present in Pd/Al2O3 catalysts on the redox behavior of PdOx and their combustion activity

The ceria-zirconium-modified alumina-supported palladium catalysts are prepared using impregnation method with H₂PdCl₄ as Pd source, hydrazine hydrate as reducing agent. The physicochemical properties of these catalysts are characterized by BET surface area (BET), X-ray powder diffraction (XRD), transmission electron microscopy (TEM), temperature programmed reduction (H₂-TPR) and temperature programmed oxidation (O₂-TPO) techniques, and their catalytic activities for the combustion of methane are examined. The results show that the palladium mainly exist in a highly dispersed PdO species on Ce-Zr-rich grains as well as Al₂O₃-rich grains surfaces, and a stable PdO species due to the strong interaction between PdO and CeO₂-ZrO₂ on the Ce-Zr/Al₂O₃ surfaces. The catalytic activity is strongly related to the redox behavior of PdO species highly dispersed on Ce-Zr-rich grains and Al₂O₃-rich grains surfaces, and the higher the reducibility of the PdO species, the higher the catalytic activity. The presence of Ce-Zr in Pd/Al₂O₃ catalyst would inhibit the site growth of PdO_x particles and decomposition of PdO to Pd⁰, and the reoxidation property of Pd⁰ to PdO_x is significantly improved, which obviously increases thermal stability and catalytic activity of Pd/Ce-Zr/Al₂O₃ catalyst for the methane combustion.     

Co-induced nano-structures on Si(1 1 1) surface

The interaction of cobalt atoms with silicon (1 1 1) surface has been investigated by means of scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED). Besides the Co silicide islands, we have successfully distinguished two inequivalent Co-induced reconstructions on Si(1 1 1) surface. Our high-resolution STM images provide some structural properties of the two different derived phases. Both of the two phases seem to form islands with single domain. The new findings will help us to understand the early stage of Co silicide formations.     

Fundamental studies of molecular depth profiling and 3D imaging using Langmuir-Blodgett films as a model

Molecular depth profiling and three-dimensional imaging using cluster projectiles and SIMS have become a prominent tool for organic and biological materials characterization. To further explore the fundamental features of cluster bombardment of organic materials, especially depth resolution and differential sputtering, we have developed a reproducible and robust model system consisting of Langmuir-Blodgett (LB) multilayer films. Molecular depth profiles were acquired, using a 40-keV C₆₀⁺ probe, with LB films chemically alternating between barium arachidate and barium dimyristoyl phosphatidate. The chemical structures were successfully resolved as a function of depth. The molecular ion signals were better preserved when the experiment was performed under cryogenic conditions than at room temperature. A novel method was used to convert the scale of fluence into depth which facilitated quantitative measurement of the interface width. Furthermore, the LB films were imaged as a function of depth. The reconstruction of the SIMS images correctly represented the original chemical structure of the film. It also provided useful information about interface mixing and edge effects during sputtering.     

Stability analysis of impulsive stochastic Cohen-Grossberg neural networks with mixed time delays

In this paper, the problem of stability analysis for a class of impulsive stochastic Cohen-Grossberg neural networks with mixed delays is considered. The mixed time delays comprise both the time-varying and infinite distributed delays. By employing a combination of the M-matrix theory and stochastic analysis technique, a sufficient condition is obtained to ensure the existence, uniqueness, and exponential p-stability of the equilibrium point for the addressed impulsive stochastic Cohen-Grossberg neural network with mixed delays. The proposed method, which does not make use of the Lyapunov functional, is shown to be simple yet effective for analyzing the stability of impulsive or stochastic neural networks with variable and/or distributed delays. We then extend our main results to the case where the parameters contain interval uncertainties. Moreover, the exponential convergence rate index is estimated, which depends on the system parameters. An example is given to show the effectiveness of the obtained results.