Simulation of Birefringence and Absorption in InGaAs-GaAs Multiple Quantum Well Acoustooptic Modulators Operating Near 980 nm

This paper presents the simulation of surface acoustic wave (SAW)-induced absorption coefficient and refractive index change in InGaAs-GaAs multiple quantum well (MQW) structures operating near 980 nm. The exciton problem is solved in two dimensional momentum space to include the non-axial effect due to strain induced valance band mixing and nonparabolicity. The optical absorption coefficient and refractive index changes near the band gap in the MQWs are calculated as a function of SAW power.     

(Ni0.81Fe0.19)1-xCrx作为种子层对NiFe/FeMn交换偏置的影响

采用一种新的种子层材料:(Ni081Fe019)1-xCrx,通过改变种子层中Cr原子的含量,使得在其上生长的NiFeFeMn双层膜的织构和晶粒尺寸产生极大的差异,系统研究了NiFeFeMn双层膜中FeMn晶粒尺寸和织构对交换偏置的影响.实验结果表明,在FeMn的γ相(111)织构较好的前提下,交换偏置场的大小与织构的差异没有关系;FeMn的晶粒尺寸对交换偏置场有很大影响,较小的反铁磁层晶粒对交换偏置场有利,过大的反铁磁层晶粒不利于交换偏置场.将(Ni081Fe019)05Cr05与传统的种子层材料Ta进 关键词： 交换偏置 晶粒尺寸 织构 种子层     

Observation of hydrogen induced intermediate borides in PrFeB based alloys by Mössbauer effect spectroscopy

In the present work, a quantitative analysis of the phase compositions by Mössbauer effect spectroscopy of solid and conventional hydrogen disproportionated Pr_13.7Fe_80.3B_6.0 and Pr_13.7Fe_63.5Co_16.7Zr_0.1B_6.0 alloys was carried out. Significant amounts of intermediate borides t-Fe₃B and Pr(Fe, Co)₁₂B₆ were detected after solid hydrogen disproportionation treatment in Pr_13.7Fe_80.3B_6.0 and Pr_13.7Fe_63.5Co_16.7Zr_0.1B_6.0 alloys, respectively. After conventional hydrogenation–disproportionation–desorption–recombination treatment these phases were not detected and in no case residual Pr₂Fe₁₄B-phase was found. It was observed that the amount of intermediate borides after disproportionation can be correlated with the degree of texture after recombination at various temperatures.     

Multifunctional ToF-SIMS: combinatorial mapping of gradient energy substrates

We present a simple method for chemical modification of chlorosilane self-assembled monolayers (SAMs) on Si surfaces by exposure to a gradient of UV-ozone radiation to create stable substrates with a range of contact angles (θ_H2O≈5–95°) and surface energies on a single substrate. These gradient energy substrates are developed to potentially generate libraries for combinatorial studies of thin film phenomenology, where a systematic variation of interfacial surface energy represents one of the significant parameters along one axis. The graded oxidation process presents a systematic variation of surface chemical composition. We have utilized contact angle measurements and time-of-flight secondary ion mass spectrometry (ToF-SIMS) to investigate this variation for a series of ions, among which are SiCH₃⁺, SiOH⁺ and COOH⁻. We show that the macroscopic measurements of surface free energy/contact angle correlate with the detailed analysis of surface chemistry (as assessed by ToF-SIMS) on these test substrates.     

Pt(110)表面自吸附原子能量和力的改进分析型嵌入原子法分析

采用改进分析型嵌入原子法计算了Pt(110)表面自吸附原子的能量和法向力.当Pt吸附原子位于Pt(110)表面第一层原子的二重对称洞位上0.11nm时最稳定.Pt吸附原子的最佳迁移路径是由一个二重对称洞位沿密排方向迁移到最近邻的另一个二重对称洞位.在吸附原子远离表面的过程中，将依次经过排斥、过渡和吸引等三个区域.在排斥区和过渡区，由于吸附原子与表面原子间强的相互作用势，吸附原子的能量和法向力的形貌图均为(110)面原子排列的复形，与对势理论和嵌入原子法得到的结果一致.在吸引区，由于多体相互作用及晶体中原子 关键词： 金属表面 自吸附 能量 力     

自由基-分子反应:F+Propene(CH2CHCH3)的从头算研究

采用从头算CCSD(T)/6-311 G(2d,2p)//B3LYP/6-311G(d,p)方法,研究了自由基-分子反应F CH2CHCH3的各种不同的反应通道．该反应主要是通过复合物形成机制进行,即F分别加到碳碳双键的两端形成自由基复合物1和2．这两种亚稳态自由基会解离成三种产物:H C3H5F、CH3 C2H3F和HF C3H5．理论计算结果表明,生成CH3 C2H3F是反应的主要通道,而生成H C3H5F和HF C3H5对产物也有一定的贡献．这一结果和实验符合得很好．     

DESIGN OF A NOVEL 2-D UNIPLANAR CRLH-TL STRUCTURE

A novel uniplanar 2-D composite right/left-handed transmission line (CRLH-TL) structure is proposed based on a general transmission line theory and the way to increase the relative operating bandwidth in the left-handed (LH) region and lower the LH operating frequency is illustrated. In addition, a new method to extract parameters and calculate the Bloch impedance of the structure is presented. Numerical results of the dispersion as well as the extracted parameters are given, which are calculated based on full-wave simulation. The present 2-D uniplanar CRLH-TL structure is applicable to 2-D left-handed materials in lower and wider LH frequency range. Supported by the National Natural Science Foundation of China (No. 60371010) (No. 60471037) (No. 63531020)     

Ab Initio Study on the Isomerization and Dehydrogenation of Methylnitrene

The ab initio calculations were performed at the RHF/4-31G level with the reaction pathways of the iso-merization and dehydrogenation of methylnitrene by the intrinsic reaction coordinate method. The results show that the transformation from methylnitrene to methylenimine would be very easy. This accountes for the experimental fact that one couldn' t find the methylnitrene, but only obtained the methylenimine in the pyrolysis of methyl azide. The mode-selective study reveals the reaction coordinates (IRC) of isomerization and dehydrogenation of methylnitrene are associated with the molecular deformation mode of 1191 cm-1 and the methyl group unsymmetrical stretch mode, respectively. The coupling between normal coordinates is favourable to select the reaction channel of isomerization.