Shapes and alignments at high spin in some rare-earth nuclei

Properties of quasirotational rare-earth nuclei at high spins are studied with continuum γ-ray spectra. It is shown that the height of these spectra at each rotational frequency gives an effective moment of inertia which includes both collective and alignment effects. At high frequencies it is necessary to correct these spectra for incomplete population of the highest spin states. This feeding correction method is presented and studied in detail. It is shown that, in quasirotational nuclei, it can in general be applied successfully. The results are discussed in terms of an interplay between alignment and deformation effects. At high spins, the highly aligned orbitais from the first empty major shell (above the valence shell) play a major role. When they reach the Fermi surface, they produce large alignments visible in our spectra. The effect of the Fermi level position and of the softness toward deformation are discussed.     

Atomic effects in XUV spectra of solids

The extreme ultraviolet photoabsorption spectra of solids are sometimes dominated by purely atomic effects which manifest themselves in both the fine structure close to and in the gross structure well above thresholds for inner shell excitation. The variation of the relative intensities of structures in photoemission spectra as a function of photon energy can also be attributed to atomic-like effects. Recent experimental results of solid spectra reflecting this behaviour are presented; almost all were obtained using the attractive properties of synchrotron radiation.     

Unoccupied electron states in low-energy electron total-current and transmission spectroscopy of molybdenum disulfide

A theoretical interpretation of the fine structure in the low-energy electron total-current spectra and low-energy electron transmission spectra measured along the normal to the (0001)MoS₂ single-crystal surface is proposed. The calculations took into account the energy dependence of band level broadening and the electronic structure of the high final unoccupied states (above the vacuum level E_vac), which become occupied by electrons entering a solid. A comparison with the available experimental and theoretical data is performed. The effects of the bulk band structure are shown to play a dominant role in the formation of the spectra (the extrema in the spectra identify the energy position of critical points, such as the band edges or the points of extremal curvature of the dispersion branches). The proposed method makes it possible to separate the bulk effects in spectra from surface effects, this approach can be used to advantage in monitoring the state of a surface in the course of its treatment.     

非线性荧光光谱的神经网络分析及其应用

大功率超快脉冲激光和气体相互作用可产生非线性荧光光谱,不同的气体分子具有不同的非线性荧光光谱。因而这种光谱可以作为物质的指纹模式加以识别分类,进而获知气体的成分。由于不同气体分子的光谱在同一波段上有很大的交叉重叠,用传统的光谱分析方法分析存在困难,采用神经网络方法分析上述非线性荧光光谱,利用经过预处理的荧光光谱数据作为模式样本,其中一部分样本作为学习样本对级联神经网络进行训练,用训练好的网络对所有样本进行实时识别,学习样本和测试样本的的正确识别率均可达100％,结果表明此方法可实时判断混合气体的组分。     

一种完整测量磁光克尔效应和法拉第效应的方法

详细给出了一种测量完整克尔和法拉弟效应的原理和实验装置。该装置简单可靠,安全由计算机控制。利用傅里叶变换方法,实验系统可以在从０．０１度至几百度的克尔和法拉第旋转角范围内以及在１．５￣６．０ｅＶ的光子能量范围内,准确地测量克尔和法拉第旋转角范围内以及在１．５￣６．０ｅＶ的光子能量范围内,准确地测量克尔和法拉第效应的绝对值。作为实验测量的例子,给出了ＭｎＢｉＡｌ合金薄膜样品和ＧａＰ块状样品的克尔和法     

Anomalous optical properties of amorphous random multilayers and its relation with the classical localization of optical propergation

Optical properties of periodic amorphous semicondctor multilayers can be understood by the effective medium treatment. Once the randomness is introduced to amorphous semiconductor multilayers, two effects of the randomness on the optical spectra are observed. One is a distortion of the interference patterns in transmittance and reflectance spectra. The other is the appearance of a randomness-related anomalous peak in the reflectance spectrum whose height increases with the randomness in the thickness of the well or the barrier layers. These effects are studied experimentally and by the simulation, and explained by the classical localization of the light propagation. The prospects for the application of the random multilayers studied in this work are discussed briefly.     

The effects of thermal annealing in self-assembled Ge/Si quantum dots

The effects of thermal annealing in Si base self-assembled Ge dots have been investigated by Raman spectra and PL spectra. An obvious Raman frequency shift under different annealing temperature can be observed. There are two main effects during the annealing procession: one is the inter-diffusion of the Si and Ge quantum dots; the other is the relaxation of the elastic strain. With the calculated results, PL blue shift can be related to strain relaxation effects, and/or a general decrease of Ge content due to the Ge-Si intermixing.     

Vibrational spectroscopy of structural defects in oligothiophenes

Vibrational spectra of oligothiophenes with structural defects are calculated within the density-functional-theory methodology. The effects of the defective αβ linkages on the infrared (IR) and Raman spectra are characterized from calculations of all isomers up to the hexamer. The signatures of αβ linked monomers can be found in IR spectra from broken symmetry arguments which result in absorptions localized in the defective region. The positions of the absorption peaks in the Raman spectra seem to be unaffected by the presence of such defects; however, strong reductions in the intensities are observed because of the shortening of the conjugation length.     

HATR和FTIR分析彝药四块瓦和五气朝阳草

本文应用HATR和FTIR两种方法测试分析了彝药四块瓦和五气朝阳草的药物有效成分。四块瓦主根的主要成分、药物有效成分和须根的差别较大,四块瓦主根的主要成分有木质素和淀粉,须根表面层光谱主峰在1008.5cm-1处,是由纤维素νc-o振动峰产生的。主根表面层中多糖成分的934 cm-1和846.7 cm-1吸收峰,有增强机体免疫力,抗肾炎作用,为四块瓦的“补养肾脏”的疗效给出分子依据。主根和须根中都含有1731 cm-1吸收峰,1731 cm-1峰有生物碱成分的贡献,生物碱有抗菌、抗病毒作用。实验结果表明,五气朝阳草表面层的HATR图谱中含有三萜化合物和多糖成分的吸收峰,表明其表面的物质具有活血作用,其生物活性较内部强。表面层物较其内部成分更具有药用效果。此外在五气朝阳草表面层的HATR和粉末样品的FTIR光谱中都出现生物碱成分的吸收峰,说明在其表面层和内部物质成分都具有杀菌和抗病毒作用。实验表明:HATR-FTIR法对于直接测试中药材的不同部位的有效药物成分信息有优势,而FTIR压片法则能给出药材整体的平均有效药物成分的信息。     

An Analysis of the Effects of Eddy Currents on L-Band EPR Spectra

Recently, impressive results have been obtained with EPR studies of living animals and perfused organs using low-frequency EPR. In many instances in such studies, however, there are apparent distortions of the spectra. The shapes of these spectra and theoretical considerations indicate that these effects are due to eddy currents in the moderately conductive biological materials. Therefore the effects of eddy currents produced in biological samples under typical conditions being employed for in vivo EPR studies have been systematically studied in order to determine the extent of these effects and to develop methods for compensating for these effects. The presence of eddy currents was found to decrease the Q factor and distort the shapes of the EPR spectra. The distortion of the spectra led to linewidth broadening, changes in peak heights, and shifts of the apparent center of the lines. These effects could be corrected instrumentally, but this was effective only when signals have a high S/N. The use of appropriate computer simulations, based on linear combinations of the expected absorption and dispersion signals, can effectively correct for the effects of eddy currents and provide accurate data on the parameters of EPR spectra that are needed for most or all of the analyses used in biological studies of animals and tissues at low frequencies.     

Particle Shape Effects in the Extinction Spectra of Gold and Silver Nanoparticles

Particle shape effects in the absorption and scattering spectra of gold and silver nanoparticles are studied for optical-range radiation. Numerical calculations of extinction cross section are performed using the FDTD approach for particles of three shapes: disks, triangular prisms, and triradial-base prisms. It is established that the spectra of nanoparticles of different shapes differ qualitatively even if they are of the same characteristic dimensions. The obtained results can be used to develop a spectroscopic procedure for determining the shape of metallic nanoparticles and producing quantitative estimates of their characteristic dimensions.     

Effects of collisional narrowing and line parameters on atmospheric composition measurements

The effects of line shape and of line width and its temperature dependence on retrieved stratospheric composition from ground-based, high-resolution solar spectra measurements are discussed. The results show that they depend on the method of measurement. For differential transmission measurements, large effects of line-shape and other line parameters are found. Even for transmission measurements, line parameters can also lead to significant error.     

共振拉曼效应和电子-声子耦合对线性多烯分子共振拉曼光谱的影响

线性多烯分子具有高强度且信息丰富的共振拉曼光谱,在生物学、光电材料和医学等方面都有一定应用.而含有共轭双键的短链β胡萝卜素分子是多烯分子中极具有代表性的分子.在激发光作用下π电子与CC键振动相互作用影响着吸收光谱和拉曼光谱,而共振拉曼效应和电子-声子耦合影响着共振拉曼光谱的强度、频率和线型.测量了β胡罗卜素分子在二氯乙...     

Transport properties between unconventional superconductors and ferromagnets

The properties of spin-polarized tunneling between ferromagnets and d-wave superconductors are studied based on a scattering theory. Conductance spectra are given for arbitrary barrier height cases, and the effects of anisotropy in the pair potential are analyzed. It is shown that the polarization can be well estimated from the heights of zero-bias peak in the case of d-wave superconductors.     

近红外离散波长光谱基线漂移校正方法研究

微分是(近)红外光谱多元分析校正中最常使用也是最有效的光谱基线漂移校正方法。由于数据数目较少及相邻数据在光谱意义或数学意义上缺乏连续性,微分不能直接用于离散波长光谱消除基线漂移。为此,提出了一种结合插值拟合和微分校正离散光谱基线漂移的新方法。思路是采用三次样条插值法对离散波长光谱进行拟合,然后对拟合光谱进行Savitaky-Golay卷积求导,再从微分光谱中取出对应于原离散波长光谱数值的数值,构成离散波长光谱的微分光谱,从而实现离散波长光谱的基线漂移校正。通过分别由模拟离散波长光谱数据和实际的离散波长光谱数据建立多元校正模型检验新方法效果。采用ABC干粉灭火剂和土壤的近红外光谱数据及性质建立了PLS和MLR模型。结果表明,新方法能有效消除离散波长光谱的基线漂移对多元分析校正产生的不利影响,明显地提高了多元分析校正模型的准确性,对改善离散波长光谱仪器分析准确度具有重要的理论意义和实际应用价值。     

UV Phoelectron Spectra of Biological Xanthines: Theophylline,Theobromine and Caffeine

Photoelectron spectra of three natural methylated xanthines are discussed by qualitative considerations on the constitutive subunits and the methylation effects. The first band in all three cases can be assigned to enaminic molecular subunit, as in uracil; also the positions of the lone pairs of nitrogen and oxygen atoms are discussed.     

Theory of the effect of intermolecular interactions on the Raman spectra of liquid CHCl3 and CFCl3

A theory of weak intermolecular interactions is presented which indicates how association in the liquid state can manifest itself in vibration spectra. The theory is applied in this case to CHCl₃ and CFCl₃. The calculations predict which bands are most sensitive to the effects of intermolecular interaction. Previous experimental observations on the behaviour of the a ₁ vibrations of these molecules are reproduced. The calculations also predicted new features in the behaviour of the degenerate vibrations which were confirmed experimentally.

The method lends itself to the study of solvent effects on vibration spectra in general.     

The Effects of Spherical Surface and Laser Polarization on the Photodetachment Cross Section of H~-

We report the combined effects of laser polarization and curvature of the spherical surface on the detached electron spectra from H-.The Theoretical imaging method is used as a tool of investigation.The photodetachment cross sections for various polarization angles,radii of curvatures and inter ion surface distances are displayed.The analysis of the spectra reveals that the laser polarization angle θL,curvature of the surface rc and inter ion surface distance d strongly affect oscillations in the spectra.Therefore,a fine control on the laser polarization and that of curvature in the surface can be used to control oscillations in the photodetachment of negative ions.     

Practical aspects of running the WIEN2k code for electron spectroscopy

The Wien2k code is widely used for the calculation of electron energy loss spectra. Low loss spectra can be calculated with the OPTIC package while core loss spectra are calculated with the TELNES program. A new version, TELNES.2, takes into account the effects of relativity for anisotropic materials. In this paper we discuss the effects of different parameters used for the self-consistent calculation of the electron density on the obtained spectra. We give an overview of possibilities for the calculation of complicated systems requiring a super-cell, like defects or disordered systems. We discuss the problem of the core hole and of the calculation of orientation-sensitive spectra and give an overview of results already published.