Investigations of Solid State Dynamics at the NRSSR Beamline at PETRA II. An Overview

The present status of the new nuclear resonance beamline PETRA 1 at HASYLAB, DESY, Hamburg is described. Besides an overview of the experimental setup some examples of recent experiments are given. Those cover the main applications, i.e., inelastic scattering from iron alloys and quasielastic scattering from glass-forming liquids. This revised version was published online in August 2006 with corrections to the Cover Date.     

Charge transport in a polypeptide chain

Charge transport is one important example of signal transduction in a protein which is responsible for action at a distance, and is a fundamental process in biochemical action. A model is presented in which electronic effects interact with motional processes to combine into a bifunctional model. This model is investigated with new detailed molecular dynamics calculations and successfully explains such action at a distance. Received 1st February 2002 / Received in final form 26 May 2002 Published online 13 September 2002     

Theory of high temperature superconductivity in YBa2Cu3O7_δ

A theory of high temperature superconductivity in YBa₂Cu₃O₇__δ compound has been developed on the basis of the momentum pairing of electrons through the relativistic Darwin interaction. The transport behaviour of electrons is explained in terms of a mechanism of correlated electron transfer arising from the electron-phonon coupling. A model Hamiltonian has been developed to describe the superconducting properties of the system. This gives an energy gap which is higher than the BCS value. Attempts have been made to explain the absence of isotope effect, the linear dependence of specific heat, the presence of larger temperature-independent paramagnetism in the normal phase and the softening of some of the optic phonon modes observed in this system.     

工作气压对电子束沉积ZrO2薄膜折射率和聚集密度的影响

采用电子束蒸发的方法，用石英晶体振荡法监控薄膜的蒸发速率，在不同工作气压下制备了ZrO2薄膜样品.在相调制型椭圆偏振光谱仪和分光光度计上对样品的光谱特性进行了测试.根据波长漂移的理论，计算出薄膜的聚集密度.结果表明，随着工作气压的降低，薄膜的聚集密度和折射率都随之增大.     

Nd(Fe,Si)11Cx化合物的全电子计算(x=0,2)

采用基于第一原理的全势能线性缀加平面波加局域轨道((L)APW lo)方法对Nd(Fe,Si)11Cx化合物(x=0,2)的电子结构进行了计算,得到了化合物态密度和磁矩等信息.计算结果表明NdFe9Si2化合物中Si原子主要与4b和32i位Fe原子产生杂化,导致Fe原子磁矩减小.NdFe9Si2C2化合物C原子使32i位Fe原子磁矩进一步降低,同时减弱了Si原子的影响,使得4b位Fe原子磁矩增大.     

来自磁光阱中冷原子团的荧光干涉条纹及其应用

实验观察来自磁光阱中冷原子团的荧光经真空系统窗口的平板玻璃反射产生的干涉条纹，理论分析表明从从荧光干涉条纹的强度分布可获得关于俘获原子总数以及密度分布的信息。采用该方法实测了俘获原子总数，并模拟得到了不同密度分布时条纹的对比度变化。     

电子束产生大尺度等离子体过程的数值模拟研究

建立了一个四组分一维混合模型，对电子束注入大气产生大尺度等离子体的过程进行了数值模拟.结果表明了能量为140keV、流强为50mA/cm²的注入电子束，可以产生线度为0.5m，密度为10¹²cm^-3量级的大气环境下等离子体.电子束所伴随的空间电荷效应由于等离子体的产生会很快消失，不影响后续的等离子体产生过程.电子束注入流强主要影响产生等离子体的密度，而电子束能量则同时影响其空间线度和密度. 关键词： 电子束 碰撞 电离     

考虑到束-波相互作用的速调管离子噪声二维模拟

采用粒子模拟的方法并考虑电子束与电磁波的相互作用，首次直接得到了速调管输出信号的离子噪声图像，阐述了束电子、二次电子、离子、电磁场之间的相互作用的动力学过程. 指出离子噪声所表现出来的相位波动是由电子束速度的波动引起的，电子束速度的变化来源于管内离子数量的变化，离子的数量的变化又与电子束状态变化相互影响，这是离子噪声产生的根本原因. 二次电子对离子噪声产生过程的影响甚微，但是其行为却反映了离子噪声的形成机理. 离子噪声引发的输出信号幅度波动取决于电子束速度和半径的改变，与离子行为密切相关. 关键词： 离子噪声 速调管 粒子模拟 电子束     

非傍轴平顶高斯光束M2因子两种定义的比较研究

基于功率密度的二阶矩方法,推导出了非傍轴平顶高斯(FG)光束束宽和远场发散角的解析表达式·研究表明,当w0/λ→0时,远场发散角趋于渐近值θmax=63.435°,与阶数无关·使用非傍轴高斯光束代替傍轴高斯光束作为理想光束,研究了非傍轴FG光束的M2因子,并与传统定义的M2因子作了比较·在非傍轴范畴,非傍轴FG光束的M2因子不仅与阶数N有关,而且与w0/λ有关·按照定义,当w0/λ→0时,非傍轴FG光束的M2因子不等于0,对阶数N=1,2,3时,M2因子分别趋于0.913,0.882和0.886·当N→∞时,M2因子取最小值M2min=0.816·     

Formation and hydrogenation of p(2 × 2)-N on Pt(1 1 1)

The formation of a well-ordered p(2 × 2) overlayer of atomic nitrogen on the Pt(1 1 1) surface and its reaction with hydrogen were characterized with reflection absorption infrared spectroscopy (RAIRS), temperature programmed desorption (TPD), low energy electron diffraction (LEED), Auger electron spectroscopy (AES), and X-ray photoelectron spectroscopy (XPS). The p(2 × 2)-N overlayer is formed by exposure of ammonia to a surface at 85 K that is covered with 0.44 monolayer (ML) of molecular oxygen and then heating to 400 K. The reaction between ammonia and oxygen produces water, which desorbs below 400 K. The only desorption product observed above 400 K is molecular nitrogen, which has a peak desorption temperature of 453 K. The absence of oxygen after the 400 K anneal is confirmed with AES. Although atomic nitrogen can also be produced on the surface through the reaction of ammonia with an atomic, rather than molecular, oxygen overlayer at a saturation coverage of 0.25 ML, the yield of surface nitrogen is significantly less, as indicated by the N₂ TPD peak area. Atomic nitrogen readily reacts with hydrogen to produce the NH species, which is characterized with RAIRS by an intense and narrow (FWHM ∼ 4 cm⁻¹) peak at 3322 cm⁻¹. The areas of the H₂ TPD peak associated with NH dissociation and the XPS N 1s peak associated with the NH species indicate that not all of the surface N atoms can be converted to NH by the methods used here.