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.     

声波在一维声子晶体中共振隧穿的研究

通过从实验和理论方面对声波在一维声子晶体单晶体和被小的共振腔分开的双晶体中传播时发生的隧穿和共振隧穿现象的研究，观察到了声子晶体单晶体在带隙频率范围内发生的隧穿现象，而对于双晶体样品，在带隙频率范围内出现了很强的共振透射峰.共振发生时，实验测得的群时间很大，但是没有共振时，群速度却很快. 关键词： 声波 声子晶体 隧穿 共振     

Au-Au2S复合纳米球壳微粒的空腔谐振及参量讨论

Au-Au2S复合纳米球壳微粒（金纳米球壳），是一种新型复合结构的纳米微粒，其结构为纳米级的Au2S介质球外包裹了一层几个纳米厚的黄金球壳。这种复合纳米球壳微粒可以被抽象为球型谐振腔。报道了它的空腔谐振吸收的实验结果，并且运用经典理论结合介观结构特征，讨论了有关Au-Au2S复合纳米球壳微粒空腔谐振吸收的一些重要参量，其中包括谐振吸收波长、品质因数、谐振能量等。另外，还讨论了金球壳的厚度对这些重要参量的影响。     

Density-Functional Theory Calculations of Normal Modes and Raman Intensities for Tetraazaporphin

The structure, harmonic frequencies, and nonresonance Raman intensities for porphin, tetraazaporphin (TAP), and three of its isotopomers are calculated by the density-functional theory of B3LYP/6-31G(d). Scaling of force constants for porphin in nonredundant natural coordinates is performed. The scaling factors obtained were used to predict the force field and normal modes of TAP and three of its isotopomers. Two alternative methods are used to carry out reliable assignment of the TAP frequencies: wavenumber-linear scaling method and frequency-shift method. There is good agreement between the frequencies predicted within the framework of the three methods used. The conservativeness of the out-of-plane B _2g - and B _3g -modes for porphin and TAP is examined. The Raman spectrum for TAP is simulated. A refinement of the assignment of the experimental frequencies for TAP of even symmetry types on the basis of the calculations performed is made.     

切伦柯夫相互作用中分段式慢波结构与均匀慢波结构的比较研究

 分析了切伦柯夫束波相互作用中使用单段慢波结构的缺点。指出在分段式慢波结构中，漂移段及其两端的慢波结构组成一Bragg谐振腔，当漂移段长度合适时，根据渡越时间效应理论，这种结构能减小调制束中电子的速度分散，提高束波转化效率。通过粒子模拟方法，比较了均匀慢波结构与分段式慢波结构中束波相互作用的物理图像，验证了理论分析结果，并说明了后者有束密度群聚充分，束电子速度分散小，产生微波功率高、频谱质量好，最佳工作电流大，输入电功率高等优点。     

Nuclear Resonant Scattering into the New Millennium

Hyperfine Interactions - The technique of nuclear resonant scattering has spread out in various fields during the previous years. Those fields, which have rapidly developed and attracted the...     

Vibrational Dynamics Studies by Nuclear Resonant Inelastic X-Ray Scattering

Nuclear resonant inelastic X-ray scattering of synchrotron radiation is being applied to ever widening areas ranging from geophysics to biophysics and materials science. Since its first demonstration in 1995 using the ⁵⁷Fe resonance, the technique has now been applied to materials containing ⁸³Kr, ¹⁵¹Eu, ¹¹⁹Sn, and ¹⁶¹Dy isotopes. The energy resolution has been reduced to under a millielectronvolt. This, in turn, has enabled new types of measurements like Debye velocity of sound, as well as the study of origins of non-Debye behavior in presence of other low-energy excitations. The effect of atomic disorder on phonon density of states has been studied in detail. The flux increase due to the improved X-ray sources, crystal monochromators, and time-resolved detectors has been exploited for reducing sample sizes to nano-gram levels, or using samples with dilute resonant nuclei like myoglobin, or even monolayers. Incorporation of micro-focusing optics to the existing experimental setup enables experiments under high pressure using diamond-anvil cells. In this article, we will review these developments. This revised version was published online in August 2006 with corrections to the Cover Date.     

A brief semi-quantitative discussion on electrical conductance through resonant states in metallic electrochemical nanowires

Some aspects of electrical conduction through resonant states in metallic electrochemical nanowires are briefly discussed in a semi-quantitative way by means of concepts associated with electron gas, conductance quantization, and Fermi energy level. Aspects related to some experimental data are also discussed.     

Experimental and quantum chemical study of pyrrole self-association through N-H?π hydrogen bonding

An FT-IR study of pyrrole self-association in CCl₄ solutions was carried out. According to the IR measurements, pyrrole forms self-associated dimeric species via N-H?π hydrogen bonding. This was also confirmed by quantum chemical calculations for pyrrole monomer and dimer at B3LYP/6-31++G(d,p) level of theory. A T-shaped minimum was located on B3LYP/6-31++G(d,p) PES of pyrrole dimer characterized with a hydrogen bond of an N-H?π type, with centers-of-mass separation of monomeric units of 4.520 Å, H?π distance of 2.475 Å, the interplanar angle between the two monomeric units being 72.9°. The anharmonic vibrational frequency shift upon dimer formation calculated on the basis of 1D DFT vibrational potentials is in excellent agreement with the experimental data (84 vs. 87 cm⁻¹). Harmonic vibrational analysis predicts somewhat smaller shift (68 cm⁻¹). On the basis of NIR spectroscopic data, anharmonicity constants for the 2ν(N-H) and 2ν(N-H?π) vibrational transitions were calculated. The orientational dynamics of monomeric and self-associated pyrrole species was studied within the framework of the transition dipole moment time correlation function formalism. The period of essentially free rotation in the condensed phase reduces from 0.05 ps for the monomeric pyrrole to 0.02 ps for the proton-donor molecule within the dimer.     

Analysis of heterojunction resonant cavity-enhanced Schottky photodiodes by using two-valley transport model

The article concerns heterojunction resonant cavity-enhanced (RCE) Schottky photodiodes with GaAs in the absorption layer. The quantum efficiency and linear pulse response have thoroughly been analysed. For the first time, the response of a heterojunction photodiode has been modelled by the phenomenological model for a two-valley semiconductor. The results obtained have shown that the satellite valleys, as well as the parasitic time constant, significantly influence the response and, accordingly, have to be taken into account when analysing and optimizing RCE photodetectors.