Theoretical investigation of the Au/Si(1 1 1)-(5 × 2) surface structure

The atomic structure of the Au/Si(1 1 1)-(5 × 2) surface has been studied by density-functional theory calculations. Two structure models, proposed experimentally by Marks et al. and Hasegawa et al., have been examined on an equal ground. In our total-energy calculations, both models are found to be locally stable and energetically comparable. In our electronic-structure analyses, however, both models fail to reproduce the key features of angle-resolved photoemission spectra and scanning-tunneling-microscopy images, indicating that the considered models need to be modified. Suggestions for the modification are given based on the present calculations.     

Mechanism of proton anisotropic velocity distribution in the solar wind

Although it has been long that spacecraft observed the anisotropy of velocity protons in the solar wind, there is still not a reasonable explanation. In this paper we try to give an explanation from the diffusion plateau of protoncyclotron resonance predicted by the quasi-linear theory for the resonance between the protons and the parallel propagating waves. We consider the effect of dispersion relation on diffusion plateau and notice that the diffusion plateau we have got by using cold plasma dispersion relation accords with the density contours in the velocity phase space detected at 0.3 AU in fast solar wind. For explaining proton distributions obtained in the fast solar wind from 0.7 AU to 1 AU hot plasma dispersion relation should be considered. We also give a theoretical relation of proton thermal anisotropy A and plasma parameter β.     

Synthesis,structure and electrochemical properties of two new unsymmetrical tetrathiafulvalene derivatives

Two new unsymmetrical tetrathiafulvalene (TTF) derivatives, 2,3‐bis(cyanoethylthio)‐6,7‐(methyl‐ethylenedithio)tetrathiafulvalene ( 6a ) and 2,3‐bis(cyanoethylthio)‐6,7‐(cyclopentodithio)tetrathiafulvalene ( 6b ), have been prepared and characterized by NMR, MS, IR and Elemental analyses. The molecular structures have been determined by X‐ray crystallography. Their redox properties have been investigated by cyclic voltammetry in dichloromethane solution and each compound shows two reversible single‐electron redox couples.     

Ferrocenylimidazoline palladacycles as efficient catalysts for the aza‐Claisen rearrangement reaction of allylic imidates

Chloride‐bridged palladacycle dimers 1 have been evaluated as catalysts for the aza‐Claisen rearrangement of allylic imidates 2 to the corresponding allyl amides 3 . Cyclopalladated complexes 1b–e bearing electron‐donating substituents on imidazoline ring were identified as being superior catalysts because excellent yields were obtained without using silver salts for activation. In addition, a correlation between substituents on the imidazoline ring and catalytic activity of palladacycles was established. The electron‐deficient ligands and good solubility of catalysts in the reaction solution increase the catalytic activity. Copyright © 2008 John Wiley & Sons, Ltd.     

Hitting time of large subsets of the hypercube

We study the simple random walk on the n‐dimensional hypercube, in particular its hitting times of large (possibly random) sets. We give simple conditions on these sets ensuring that the properly rescaled hitting time is asymptotically exponentially distributed, uniformly in the starting position of the walk. These conditions are then verified for percolation clouds with densities that are much smaller than (n log n)^‐1. A main motivation behind this article is the study of the so‐called aging phenomenon in the Random Energy Model, the simplest model of a mean‐field spin glass. Our results allow us to prove aging in the REM for all temperatures, thereby extending earlier results to their optimal temperature domain. © 2008 Wiley Periodicals, Inc. Random Struct. Alg., 2008     

catena‐Poly[[[bis(μ‐4,5‐dihydrothiazole‐2‐thiolato)‐tetrahedro‐tetracopper(I)]‐di‐μ‐4,5‐dihydrothiazole‐2‐thiolato] dihydrate]

The title compound, {[Cu₄(C₃H₄NS₂)₄]·2H₂O}_n, was produced by diffusing a solution of 2‐mercapto­thia­zoline in tetra­hydro­furan into a solution of CuCl in CH₃CN at room temperature. The structure is characterized by self‐assembled one‐dimensional chains that are condensed from butterfly‐like [Cu(C₃H₄NS₂)]₄ tetrameric units via double S‐bridging at opposite ends. The Cu—Cu distances within the Cu₄ butterfly cluster are in the range 2.7103 (10)–2.9764 (10) Å, while the shortest Cu?Cu intercluster distance is 3.468 (1) Å, much longer than the sum of the van der Waals radii.     

无源红外方位标研究

提出在现有条件下利用激光实现无源红外方位标的思路，并通过详细计算与分析，论述了无源红外方位标的可行性。     

一种新颖的表面空心微光阱阵列

提出了采用四台阶相位光栅与微透镜阵列组合产生一种新颖的表面空心微光阱阵列的方案，研究了表面空心微光阱阵列的光强分布，计算了相应的光学囚禁势，并讨论了该微光阱阵列在原子分子光学中的潜在应用.研究表明当用1W的YAG激光照射时，在1cm²面积上可产生近10⁴个空心光阱，每个光阱具有较小的囚禁体积和较大的有效光强及其强度梯度，对⁸⁵Rb原子的光学囚禁势可达190μK.如此深的光阱足以囚禁冷原子或冷分子，并可用于实现全光型原子或分子玻色-爱因斯坦凝聚，甚至制备新颖的光学晶格等. 关键词： 空心光阱 冷原子或冷分子 光学晶格     

具有位数3和4的双随机循环矩阵中的素元

本文研究了双随机循环矩阵中素元的分类问题．由于任一n阶双随机循环矩阵都可以唯一地表示为移位的n-1次一元多项式,从而可把双随机循环矩阵中素元的分类问题简化为解双随机循环矩阵上的一个方程．应用此原理,本文完全解决了判别具有位数3的n阶双随机循环矩阵是否为素元的问题,并给出了n阶双随机循环矩阵中一类具有位数4的素元．     

具阻尼的Gross-Pitaevskii(GP)方程在二维空间中的稳定性

本文讨论出现在吸引玻色-爱因斯坦凝聚中的一类带调和势的阻尼非线性Schr dinger方程.对照玻色-爱因斯坦凝聚的物理性质,证明了阻尼参数存在一个门槛值,即当阻尼参数大于该门槛值时,初值问题的解整体存在;当阻尼参数小于该门槛值时,其初值问题的解将在有限时间内坍塌.