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Optical Properties, Electronic Energy Level Structure and Electro-luminescent Characteristics of Salicylaldehyde Anil Zinc

Yuying HAO , Bingshe XU , Zhixiang GAO , Hua WANG , Hefeng ZHOU , Xuguang LIU

材料科学技术(英文)

A new electroluminescent material, salicylaldehyde anil zinc (SAZ) was synthesized, which can form high quality, thermal stability, nano-scale amorphous films by vacuum evaporation. Its structure, thermal stability were characterized by infrared (IR) spectra, differential thermal analysis-thermogravimetry (DTA-TG) analysis, respectively. The optical properties of SAZ were investigated by UV absorption spectra, Photoluminescence (PL) excitation and emission spectra. The highest occupied molecular orbits (HOMO), lowest unoccupied molecular orbits (LUMO) and optical band gap were evaluated by cyclic voltammetry curve and optical absorption band edge. The electroluminescent devices using SAZ as the emissive layer emit green light with a peak wavelength at 509 nm and a brightness of about 3.1 cd/m2.

关键词: Salicylaldehyde anil zinc , 光学性质 , 电子能级结构

Crystallization Kinetics of Nanophase Glass-Ceramics as Magnetic Disk Substrate

Shengyu JIANG , Jiancheng ZHANG , Feng GU , Yue SHEN , Hua WANG

材料科学技术(英文)

Glass-ceramics containing β-quartz as a main crystal phase based on the system of SiO2-Al2O3-Li2O-K2O-MgO-ZnO were investigated for the application to magnetic storage substrate for higher storage capacity. Parent glasses were prepared, then nucleated and crystallized at certain temperatures for 3~4 h. The crystallization kinetics of glass-ceramics was also studied. The grain size was estimated by Scherrer formula and image treatment of transmission electron microscopy (TEM). The results π showed that the Avrami exponent was determined to be 3.88, the activation energy 189±7 kJ/mol and the grain size 30~60 nm. A detailed microstructure of the glass-ceramics, including grain distribution and the morphology of nano-crystalline was characterized by TEM, X-ray diffraction (XRD), differential scanning calorimeter (DSC), differential thermal analysis (DTA). The relationship between microstructure and mechanical properties was also discussed.

关键词: Glass-ceramics , 动力学 , 磁盘基片

Thermal Expansion Behavior of La1-xSrxMn1-yCoyO3-d Perovskites

Wenhui MA , Gang XIE , Hua WANG

材料科学技术(英文)

The thermal expansion behavior of La1-xSrxMn1-yCoyO3-d (x=0.2~0.4, y=0.1~0.3) perovskites in air has been investigated. The average linear thermal expansion coefficients increased with increasing Sr content up to 40 mole fraction or Co content up to 30 mole fraction. The expansion is generally attributed to an increase in the average cation radius as some of the cations in the perovskite are reduced in valence when oxygen ions are removed from the structure.

关键词: Thermal expansion , null , null

Two-step magnetization in a spin-chain system on the triangular lattice: Wang-Landau simulation

Physical Review B

The Wang-Landau algorithm is used to study the thermodynamic and magnetic properties of triangular spin-chain system based on two-dimensional Ising model in order to understand the magnetic-order dynamics in Ca(3)Co(2)O(6) compound. The calculated results demonstrate that the equilibrium state of the rigid spins produces the two-step magnetization curve at low temperature even when the random-exchange term is considered. This work indicates that the four-step magnetization behavior observed experimentally must be due to the nonequilibrium magnetization.

关键词: calcium compounds;exchange interactions (electron);Ising model;magnetisation;thermodynamics;one-dimensional ca3co2o6;density-of-states;compound ca3co2o6;phase-diagram;proteins;crystal

Ion sputter erosion in metallic glass-A response to "Comment on: Homogeneity of Zr(64.13)Cu(15.75)Ni(10.12)Al(10) bulk metallic glass" by L-Y. Chen, Y-W. Zeng, Q-P. Cao, B-J. Park, Y-M. Chen, K. Hono, U. Vainio, Z-L. Zhang, U. Kaiser, X-D. Wang, and J-Z Jiang J. Mater. Res. 24, 3116 (2009)

Journal of Materials Research

The morphology of the dark and bright regions observed by transmission electron microscopy for the Zr(64.13)Cu(15.75)Ni(10.12)Al(10) bulk metallic glass strongly depends on the ion beam parameters used for ion milling. This indicates that the ion beam could introduce surface fluctuation to metallic glasses during ion milling.

关键词: room-temperature

NiO/FeCo磁性多层膜的高频磁性

李玉伟 , 陈继红 , 唐东明 , 张豹山 , 鹿牧 , 陆怀先

功能材料与器件学报 doi:10.3969/j.issn.1007-4252.2010.02.011

制备了一系列具有铁磁/反铁磁交换偏置作用的[NiO/Fe65Co35]10多层膜,使用振动样品磁强计(VSM)测量了样品的静磁参数,利用微带线法测量了样品4GHz-10GHz的磁谱,首次制备并测得了自然共振频率(fr)在6GHz以上,最高到f=9.6GHz的薄膜样品.结果表明交换偏置场(Hex)、各向异性场(Hua)、以及矫顽力(Hc)随铁磁层厚度(tFM)增大而减小;基于Landau-Lifishitz (L-L)方程对静磁参量和磁谱进行了比较,发现样品自然共振频率较L-L方程计算值偏大30%以上.

关键词: 铁磁 , 反铁磁 , 交换偏置场 , 各向异性场 , 交换耦合能密度 , 自然共振频率

Effect of interstitial hydrogen on cohesive strength of Al grain boundary with Mg segregation

材料科学技术(英文)

The effect of interstitial hydrogen on the cohesion of the Al Sigma=11(113) grain boundary (GB) is investigated based on the thermodynamic model of Rice-Wang using the first-principles density function calculation. The results indicate that interstitial H behaves as an embrittler from "strengthening energy" analysis. The reduced GB cohesion due to the presence of H at the GB is attributed to the low affinity between H and Al, and the weakened bonding of Al atomic pairs perpendicular to GB plane.

关键词: hydrogen;grain boundary;Al-Mg alloys;pseudopotentials;1st-principles

Effect of Interstitial Hydrogen on Cohesive Strength of Al Grain Boundary with Mg Segregation

Xiaoguang LIU , Xiaowei WANG

材料科学技术(英文)

The effect of interstitial hydrogen on the cohesion of the Al ∑=11(113) grain boundary (GB) is investigated based on the thermodynamic model of Rice-Wang using the first-principles density function calculation. The results indicate that interstitial H behaves as an embrittler from "strengthening energy" analysis. The reduced GB cohesion due to the presence of H at the GB is attributed to the low affinity between H and Al, and the weakened bonding of Al atomic pairs perpendicular to GB plane.

关键词: Hydrogen , null , null

First-principles study on the effect of Mn and N on the cohesion of a gamma-iron grain boundary

Physical Review B

By use of the linear-combination-of-atomic-orbital (LCAO) method for a cluster model, we studied the electronic structure of gamma-from Sigma 11 [1 (1) over bar0](11 (3) over bar) grain boundary doping with N and Mn atoms. The effect of the segregation on the cohesion of the grain boundary is investigated based on the Rice-Wang thermodynamic model. It is found that N could not only largely enhance the cohesion of the grain boundary but also eliminate the detrimental effect of Mn. The cosegregation effect of Mn and N on the cohesion of the grain boundary depends on where they segregate. Nitrogen could be reliably used in alloyed steels as an efficient strengthening element.

关键词: electronic-structure;phosphorus segregation;stainless-steel;embrittlement;austenite;nitrogen;boron;impurities;fracture;metals

First-principle study of electronic properties of Ti3Si1-xAlxC2 solid solutions

Journal of Physics and Chemistry of Solids

The layered ternary ceramics Ti3SiC2 and Ti3AlC2 are isostructural and can form Ti3Si1-xAlxC2 solid solutions combining the advanced properties of both compounds [H.B. Zhang, Y.C. Zhou, Y.W. Bao, M.S. Li, Improving the oxidation resistance of Ti3SiC2 by forming a Ti3Si0.90Al0.1C2 solid solution, Acta Mater. 52 (2004) 3631-3637; E.D. Wu, J.Y. Wang, H.B. Zhang, Y.C. Zhou, K. Sun, Y.J. Xue, Neutron diffraction studies of Ti3Si0.9Al0.1C2 compound, Mater. Lett. 59 (2005) 2715-2719; J.Y. Wang, Y.C. Zhou, First-principles study of equilibrium properties and electronic structure of Ti3Si0.75Al0.25C2 solid solution, J. Phys.: Condens. Matter 15 (2003) 5959-5968; Y.C. Zhou, J.X. Chen, J.Y. Wang, Strengthening of Ti3AlC2 by incorporation of Si to form Ti3Al1-xSixC2 solid solutions, Acta. Mater. 54 (2006) 1317-1322]. In the present work, the solid solutions of Ti3Si1-xAlxC2 (x = 0, 0.25, 0.33, 0.5, 0.67, 0.75, 1) are investigated by first-principle calculations based on pseudo-potential plan-wave method within the density functional theory framework. The results show that as Al content increases in the solid solution, all the bonds have weakened to certain extents, which lead to an unstable structure both energetically and geometrically. The calculated results are compared and discussed with the reported data for the Ti3Si1-xAlxC2 solid solutions. (c) 2007 Elsevier Ltd. All rights reserved.

关键词: ceramics;ab initio calculations;electronic structure;electrical;conductivity;oxidation behavior;mechanical-properties;ti3sic2;temperature;ti3alc2;air;si

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