PbWO4晶体空位型缺陷电子结构的研究

采用基于密度泛函理论的相对论性离散变分和嵌入团簇方法计算了PbWO4晶体中与氧空位和铅空位相关缺陷的态密度分布,并运用过渡态方法计算了其激发能.结果表明:PbWO4晶体中WO3+VO缺陷的O2p→W5d跃迁可引起350nm和420nm附近的吸收,并且发现VPb的存在可以使WO42基团的禁带宽度明显变小 关键词： PbWO4晶体 密度泛函 氧空位和铅空位 态密度分布     

Effects of Si doping on the structural and electrical properties of Ge2Sb2Te5 films for phase change random access memory

The effects of Si doping on the structural and electrical properties of Ge₂Sb₂Te₅ film are studied in detail. Electrical properties and thermal stability can be improved by doping small amount of Si in the Ge₂Sb₂Te₅ film. The addition of Si in the Ge₂Sb₂Te₅ film results in the increase of both crystallization temperature and phase-transition temperature from face-centered cubic (fcc) phase to hexagonal (hex) phase, however, decreases the melting point slightly. The crystallization activation energy reaches a maximum at 4.1 at.% and then decreases with increasing dopant concentration. The electrical conduction activation energy increases with the dopant concentration, which may be attributed to the increase of strong covalent bonds in the film. The resistivity of Ge₂Sb₂Te₅ film shows a significant increase with Si doping. When doping 11.8 at.% of Si in the film, the resistivity after 460 °C annealing increases from 1 to 11 mΩ cm compared to the undoped Ge₂Sb₂Te₅ film. Current-voltage (I-V) characteristics show Si doping may increase the dynamic resistance, which is helpful to writing current reduction of phase-change random access memory.     

Effect of end groups on complexation kinetics between cyclodextrins and guest polymers

α‐Cyclodextrin (α‐CD) has been complexed with various poly(ethylene glycol) (PEG) derivatives in aqueous solution. It has been found that the end groups of PEG derivatives affect the complexation kinetics greatly, but have only a little influence on the thermodynamic behavior. By increasing the hydrophobicity of end groups, the complexation speeds up rapidly. On the other hand, the bulky end groups slow down the threading of polymeric guests into the cavity of CD. By changing the hydrophobicity and the size of end groups, the complexation rate can be adjusted in the range of several orders of magnitudes, which should be quite useful in the design of new supramolecular systems. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2050–2057, 2006     

原子核电荷半径的新公式

结合原子核的电荷半径的实验数据,详细分析了描述原子核电荷半径的经验公式,表明电荷半径的Z^1/3律优于A^1/3律.更细致的考察发现,对于远离β稳定线的核素,电荷半径具有近似线性的同位旋相关性.由此得到的同位旋相关的Z^1/3公式更适合描述原子核的电荷半径.     

关于消失平均振动的一个注记

本文得到了极大算子的几个不等式,并从这些结果推广了函数f∈L_(loc)~1(R,dx)属于VMO(R,dx)的一个必要条件。     

吸积盘的X射线辐射对周围星际物质的离化研究

利用辐射流体力学程序对三倍频纳秒激光与靶物质相互作用进行了模拟研究，得到了可以产生黑体辐射谱分布的激光等离子体X射线辐射靶的最佳厚度；数值模拟研究了黑体谱分布的X射线辐射场对等离子体系统平均离化度分布的影响，它有助于深入理解天体物理中吸积盘对它周围星际物质的离化影响. 关键词： 辐射流体力学 激光等离子体 X射线辐射 吸积盘 离化     

Characteristics of Nd：GdVO4 Laser with Different Nd-Doping Concentrations

We report the properties of a compact diode-pumped continuous-wave Nd：GdV04 laser with a linear cavity and different Nd-doped laser crystals. In a 0.2at.% Nd-doped Nd：GdVO4 laser, 1.54 W output laser power is achieved at 912nm wavelength with a slope efficiency of 24.8% at an absorbed pump power of 9.4W. With 0.3at.% Nd-doping concentration, we can obtain the either single-wavelength emission at 1064nm or 912nm or the dual-wavelength emission at 1064nm and 912nm by controlling the incident pump power. From an incident pump power of 11.6 W, the 1064nm emission between ^4Fa/2 and ^4I11/2 is suppressed completely by the 912nm emission between ^4Fa/2 and ^4I9/2. We obtain 670 mW output of the 912nm single-wavelength laser emission with a slope efficiency of 5.5% by taking an incident pump power of 18.4 W. Using a Nd：GdV04 laser with 0.4at.% Nd-doping concentration, we obtain either the single-wavelength emission at 1064nm or the dual-wavelength emission at both 1064nm and 912nm by increasing the incident pump power. We observe a strong competition process in the dualavelength laser.     

关于微分熵的一类强偏差定理

利用关于乘积分布密度的相对熵和相对熵率的概念,建立了相依连续型随机变量序列关于参考微分熵的一类强偏差定理,证明中给出了将Laplace变换应用于微分熵强偏差定理的研究的一种途径．     

Characterization of iron surface modified by 2-mercaptobenzothiazole self-assembled monolayers

A self-assembled monolayer of 2-mercaptobenzothiazole (MBT) adsorbed on the iron surface was prepared. The films were characterized by electrochemical impedance spectroscopy (EIS), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared reflection spectroscopy (FT-IR) and scanning electron microscopy (SEM). Besides, the microcalorimetry method was utilized to study the self-assembled process on iron surface and the adsorption mechanism was discussed from the power-time curve. The results indicated that MBT was able to form a film spontaneously on iron surface and the presence of it could protect iron from corrosion effectively. However, the assembling time and the concentration influence the protection efficiency. Quantum chemical calculations, according to which adsorption mechanism was discussed, could explain the experimental results to some extent.     

New Non-Linear Inequalities for Flag-Vectors of 4-Polytopes

In this paper we prove four new (infinite) lists of quadratic inequalities, and four cubic inequalities, for the flag f-vectors of 4-polytopes. These extend and supplement the only four currently known non-linear inequalities, which were proved by Bayer in 1987. The new lists of inequalities for flag f-vectors yield new lists of inequalities for f-vectors of 4-polytopes. Using the latter, we managed to improve an estimate discovered by Hoppner and Ziegler concerning upper bounds of f₁ in terms of f₀ and f₃.