The effects of O deficiency on the electronic structure of rutile TiO2

Ab initio density functional calculations (plane wave GGA, CASTEP) were performed to determine the effect of O deficiency on the electronic structure of rutile, TiO₂. O deficiency was introduced through either the removal of O or the insertion of interstitial Ti atoms. At physically realistic concentrations of O vacancies in the rutile lattice (i.e. 25% and less) O deficiency results in the population of the bottom of the conduction band, the location of the Ti 3d orbitals in the pure structure, increasingly with increasing vacancy concentration. We propose that this could be confused with the formation and population of gap states especially where O vacancies occur in isolated positions in the lattice. In contrast, Ti interstitials introduce a defect state into the energy gap, without an overall reduction in the size of the energy gap. O vacancies result in a spin polarized solution, whereas Ti interstitials do not.     

高阶线性微分方程的解及其解的导数的不动点

研究了复域齐次和非齐次线性微分方程的解及其解的导数的不动点与超级问题,得到了整函数系数的齐次和非齐次线性微分方程的解及其解的导数的不动点的两个结果,所得结果推广了一些相关结果.     

PuN基态分子势能函数与热力学函数的理论计算

在Pu的相对论有效原子实势近似和N原子 6 - 311G 全电子基函数下 ,用密度泛函B3LYP方法计算得到PuN分子基态X6Σ+ 的结构与势能函数、力常数与光谱数据 .同时计算得到PuN(g)分子在 2 98K时的标准生成热力学函数ΔfH0 、ΔS0 和ΔfG0 ,分别为 - 4 87.2 39kJ/mol、95 .345J/molK和 - 5 15 .6 6 6 1kJ/mol.     

儿童的铅中毒问题──Ⅱ．彩色油墨中铅的测定

用能量色散Ｘ射线荧光分析法测定了某厂生产的４４种彩色油墨纸中的铅含量．结果发现，除５种油墨外，其它３９种彩色油墨纸中的铅含量均比对照纸中高９倍以上，其中桔黄色、桔红色树脂胶版油墨高５００倍以上，棕色树脂胶版油墨高３７９倍，深黄色和柠檬黄色树脂铅印油墨分别高１７０和１１３倍．这表明，彩色油墨印刷品可能是儿童慢性铅中毒的重要污染源．     

Hard collisions of spinning protons: Past,present and future

There will be a review of the history of polarized proton beams, and a discussion of the unexpected and still unexplained large transverse spin effects found in several high-energy proton-proton spin experiments at the ZGS, AGS and Fermilab. Next, there will be a discussion of present and possible future experiments on the violent elastic collisions of polarized protons at IHEP-Protvino's 70GeV U-70 accelerator in Russia and the new high-intensity 50GeV J-PARC facility being built at Tokai in Japan.     

An introduction to preconvexity spaces

Axioms are given for a preconvexity space and certain consequences obtained. In particular, it is shown that in a very natural way, a preconvexity on a space yields an abstract convexity space in much the same manner as a proximity yields a topological space. This revised version was published online in June 2006 with corrections to the Cover Date.     

A UNICITY THEOREM FOR ENTIRE FUNCTIONS OF SEVERAL COMPLEX VARIABLES

A unicity theorem concerning the total derivative for entire functions of several complex variables is proved.     

WEIERSTRASS REPRESENTATION FORSURFACES WITH PRESCRIBED NORMALGAUSS MAP AND GAUSS CURVATURE IN H~3

The author obtains a Weierstrass representation for surfaces with prescribed normal Gauss map and Gauss curvature in H3. A differential equation about the hyperbolic Gauss map is also obtained, which characterizes the relation among the hyperbolic Gauss map, the normal Gauss map and Gauss curvature. The author discusses the harmonicity of the normal Gauss map and the hyperbolic Gauss map from surface with constant Gauss curvature in H3 to S2 with certain altered conformal metric. Finally, the author considers the surface whose normal Gauss map is conformal and derives a completely nonlinear differential equation of second order which graph must satisfy.     

ON THE GROWTH OF SOLUTIONS OF A CLASS OF HIGHER ORDER DIFFERENTIAL EQUATIONS

In this paper, authors investigate the order of growth and the hyper order of solutions of a class of the higher order linear differential equation, and improve results of M. Ozawa^[6], G. Gundersen^[7] and J.K. Langley^[8], Li Chun-hong^[11].     

D∞-APPROXIMATION OF PRODUCT VARIATIONS OF TWO PARAMETER SMOOTH SEMIMARTINGALES

Let X be a two parameter smooth semimartingale and (~X) be its process of the product variation. It is proved that (~X) can be approximated as D∞-limit of sums of its discrete product variations as the mesh of division tends to zero. Moreover, this result can be strengthen to yield the quasi sure convergence of sums by estimating the speed of the convergence.