Spectroscopy of La0.5Sr1.5MnO4 orbital ordering: a cluster many-body calculation

Orbital ordering (OO) in La_0.5Sr_1.5MnO₄ has been studied using soft X-ray resonant diffraction (SXRD) at the Mn L_2,3 edges in combination with many-body cluster calculations. The SXRD intensity is modelled in second quantization using a small planar cluster consisting of a central active Mn site with first-neighbour shells comprising O and Mn sites. The effective Hamiltonian includes Slater-Koster parameters and charge transfer and electron correlation energies obtained from previous measurements on manganites. The energy dependence of the SXRD OO peak is calculated using the Jahn-Teller distortions of the oxygen octahedra and in-plane spin correlations as adjustable parameters. These contributions are clearly distinguished above the Néel temperature with a good spectroscopic agreement. The results also suggest a significant charge separation between the Mn sites.     

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介绍了在神光Ⅱ装置上开展的长脉冲2ns三倍频激光与黑腔靶相互作用的实验。报道了采用PIN探测器阵列测量大角度受激Raman散射（SRS）角分布和采用激光卡计对背向SRS光能量积分测量的实验结果。相同实验条件下激光辐照缝靶产生的SRS光能量要强于激光与全腔靶作用产生的SRS光，小腔靶的SRS光能量要强于标准腔靶。对比长脉冲2ns及短脉冲1ns激光打靶实验结果可以看出：由于激光功率密度的下降，长脉冲激光打靶时SRS散射光能量要弱于短脉冲激光打靶。长脉冲2ns激光与标准腔靶相互作用时，等离子体堵腔比较严重。     

Molecular dynamics in aqueous solutions of β-cyclodextrin

Water molecule mobility in ion-containing and nonionic aqueous solutions of β-cyclodextrin was studied by quasielastic neutron scattering (QENS). The total self-diffusion coefficients and their components corresponding to the contributions from collective (Lagrange type) and single-particle (jump diffusion) parts of molecular motions were determined. From the data obtained, one can conclude that the molecular mobility of free water in nonionic aqueous solutions of β-cyclodextrin with guest molecules (2-aminopyridine) proceeds by a single-particle mechanism. The addition of Pb²⁺ ions into the solution leads to increase in self-diffusion coefficients and growth of a bound water fraction.     

Elastic scattering via quark structure of nucleons

In the framework of the Glauber multiple-scattering theory, the elastic collisions of proton-proton (pp) at the center-of-mass energies = 23.5, 30.7, 44.7, and 52.8 GeV and alpha-proton (p) at = 88 and 89 GeV are analyzed by considering the quark structure of their constituents. The differential cross-section containing the full multiple-scattering series between their quarks is calculated using Gaussian forms for the quark density and quark-quark (QQ) scattering amplitudes. The results obtained from the quark model and the conventional nucleon model are compared with the experimental data. The comparison shows that the nucleon model reproduces the experimental data more satisfactorily than the quark model, and both approaches have limited success in describing the data at such energies. The agreement with the experimental data is improved by the inclusion of the phase variation.     

Evanescent Plane Waves in Multilayer Structures

We have considered evanescent plane waves in structures with a layer of a substance with ε, μ < 0 and with a layer of a well-reflecting metal, ε < 0, μ ≥ 1. Waves with increased amplitude as compared with the initial wave have been found to occur, due to which evanescent waves with wave number as in the initial wave but with increased amplitude arise behind these layers. A composite material with ε, μ < 0 at optical frequencies are proposed. Surface waves on a metal layer are considered in detail. It is shown that surface waves with a sufficiently arbitrary wave number can be excited. It is also shown that, on very thin layers, surface waves with wave number exceeding ten times that of a homogeneous plane wave in vacuum can be excited. Propagation losses are calculated. For a silver layer, the wave path can be from 30 up to 100 wavelengths. Practical use in developing techniques for optical transformations of short-wave surface waves in 2D space, similar to those in 3D space, are pointed out.     

Resonantly enhanced off-specular X-ray scattering from polymer/polymer interfaces<Superscript>⋆</Superscript>

We have used measurements of the absolute intensity of diffuse X-ray scattering to extract the interfacial tension of a buried polymer/polymer interface. Diffuse scattering was excited by an X-ray standing wave whose phase was adjusted to have a high intensity at the polymer/polymer interface and simultaneously a node at the polymer/air interface. This method permits the capillary-wave-induced roughness of the interface, and hence the interfacial tension, to be measured independently of the polymer/polymer interdiffusion.     

Spectroscopy of low and intermediate Z elements at extreme conditions: in situ studies of Earth materials at pressure and temperature via X-ray Raman scattering

ABSTRACT

X-ray Raman scattering spectroscopy is an emerging method in the study of low and intermediate Z elements' core-electron excitations at extreme conditions in order to reveal information on local structure and electronic state of matter in situ. We discuss the capabilities of this method to address questions in Earth materials' science and demonstrate its sensitivity to detect changes in the oxidation state, electronic structure, coordination, and spin state. Examples are presented for the study of the oxygen K-, silicon L- and iron M-edges. We assess the application of both temperature and pressure in such investigations exploiting diamond anvil cells in combination with resistive or laser heating which is required to achieve realistic conditions of the Earth's crust, mantle, and core.     

Extraction of local coordination structure in a low‐concentration uranyl system by XANES

Obtaining structural information of uranyl species at an atomic/molecular scale is a critical step to control and predict their physical and chemical properties. To obtain such information, experimental and theoretical L₃‐edge X‐ray absorption near‐edge structure (XANES) spectra of uranium were studied systematically for uranyl complexes. It was demonstrated that the bond lengths (R) in the uranyl species and relative energy positions (ΔE) of the XANES were determined as follows: ΔE₁ = 168.3/R(U—O_ax)² ? 38.5 (for the axial plane) and ΔE₂ = 428.4/R(U—O_eq)² ? 37.1 (for the equatorial plane). These formulae could be used to directly extract the distances between the uranium absorber and oxygen ligand atoms in the axial and equatorial planes of uranyl ions based on the U L₃‐edge XANES experimental data. In addition, the relative weights were estimated for each configuration derived from the water molecule and nitrate ligand based on the obtained average equatorial coordination bond lengths in a series of uranyl nitrate complexes with progressively varied nitrate concentrations. Results obtained from XANES analysis were identical to that from extended X‐ray absorption fine‐structure (EXAFS) analysis. XANES analysis is applicable to ubiquitous uranyl–ligand complexes, such as the uranyl–carbonate complex. Most importantly, the XANES research method could be extended to low‐concentration uranyl systems, as indicated by the results of the uranyl–amidoximate complex (～40 p.p.m. uranium). Quantitative XANES analysis, a reliable and straightforward method, provides a simplified approach applied to the structural chemistry of actinides.     

Brownian and advective dynamics in microflow studied by coherent X‐ray scattering experiments

Combining microfluidics with coherent X‐ray illumination offers the possibility to not only measure the structure but also the dynamics of flowing samples in a single‐scattering experiment. Here, the power of this combination is demonstrated by studying the advective and Brownian dynamics of colloidal suspensions in microflow of different geometries. Using an experimental setup with a fast two‐dimensional detector and performing X‐ray correlation spectroscopy by calculating two‐dimensional maps of the intensity auto‐correlation functions, it was possible to evaluate the sample structure and furthermore to characterize the detailed flow behavior, including flow geometry, main flow directions, advective flow velocities and diffusive dynamics. By scanning a microfocused X‐ray beam over a microfluidic device, the anisotropic auto‐correlation functions of driven colloidal suspensions in straight, curved and constricted microchannels were mapped with the spatial resolution of the X‐ray beam. This method has not only a huge potential for studying flow patterns in complex fluids but also to generally characterize anisotropic dynamics in materials.     

Identification of surface oxygen vacancy-related phonon–plasmon coupling in TiO_2 single crystal

Oxygen vacancies(OVs) play a critical role in the physical properties and applications of titanium dioxide nanostructures, which are widely used in electrochemistry and photo catalysis nowadays. In this work, OVs were artificially introduced in the surface of a pure TiO_2 single crystal by pulsed laser irradiation. Raman spectra showed that the intensity of E_g mode was enhanced. Theoretical calculations disclose that this was caused by the strong coupling effect between the phonon vibration and plasmon induced by the OVs-related surface deformation, and good agreement was achieved between the experiments and theory.