Deciphering the Ce to Ce Evolution: Insight from X-ray Raman Scattering Spectroscopy at Ce N Edges.

Cerium oxide, or ceria, (CeO) is one of the most studied materials for its wide range of applications in heterogeneous catalysis and energy conversion technologies. The key feature of ceria is the remarkable oxygen storage capacity linked to the switch between Ce and Ce states, in turn creating oxygen vacancies. Changes in the electronic structure occur with oxygen removal from the lattice.

A miniature X-ray diffraction setup on ID20 at the European Synchrotron Radiation Facility.

We describe an ultra-compact setup for in situ X-ray diffraction on the inelastic X-ray scattering beamline ID20 at the European Synchrotron Radiation Facility. The main motivation for the design and construction of this setup is the increasing demand for on-the-fly sample characterization, as well as ease of navigation through a sample's phase diagram, for example subjected to high-pressure and/or high-temperature conditions. We provide technical details and demonstrate the performance of the setup.

Sporadic and Familial Medullary Thyroid Carcinoma: A Retrospective Single Center Study on Presentation and Outcome.

Background: Medullary Thyroid Carcinoma (MTC) is a neuroendocrine tumor that arises from the thyroid C-cells. Most cases are sporadic (sMTC) while, approximately 25%, are hereditary (hMTC) due to germline mutations of REarranged during Transfection (RET) gene mutations and manifest in the framework of multiple endocrine neoplasia (MEN) 2A or 2B, or as pure familial MTC syndrome (FMTC).

Objective: The aim of this study is to evaluate the clinical, histopathological, biochemical and outcome differences between sMTC and hMTC.

A compact von Hámos spectrometer for parallel X-ray Raman scattering and X-ray emission spectroscopy at ID20 of the European Synchrotron Radiation Facility.

A compact spectrometer for medium-resolution resonant and non-resonant X-ray emission spectroscopy in von Hámos geometry is described. The main motivation for the design and construction of the spectrometer is to allow for acquisition of non-resonant X-ray emission spectra while measuring non-resonant X-ray Raman scattering spectra at beamline ID20 of the European Synchrotron Radiation Facility. Technical details are provided and the performance and possible use of the spectrometer are demonstrated by presenting results of several X-ray spectroscopic methods on various compounds.

Elastic stiffness coefficients of thiourea from thermal diffuse scattering.

The complete elastic stiffness tensor of thiourea has been determined from thermal diffuse scattering (TDS) using high-energy photons (100 keV). Comparison with earlier data confirms a very good agreement of the tensor coefficients. In contrast with established methods to obtain elastic stiffness coefficients ( Brillouin spectroscopy, inelastic X-ray or neutron scattering, ultrasound spectroscopy), their determination from TDS is faster, does not require large samples or intricate sample preparation, and is applicable to opaque crystals.

Carbon speciation in organic fossils using 2D to 3D x-ray Raman multispectral imaging.

The in situ two-dimensional (2D) and 3D imaging of the chemical speciation of organic fossils is an unsolved problem in paleontology and cultural heritage. Here, we use x-ray Raman scattering (XRS)-based imaging at the carbon K-edge to form 2D and 3D images of the carbon chemistry in two exceptionally preserved specimens, a fossil plant dating back from the Carboniferous and an ancient insect entrapped in 53-million-year-old amber. The 2D XRS imaging of the plant fossil reveals a homogeneous chemical composition with micrometric "pockets" of preservation, likely inherited from its geological history.

Structural, elastic and vibrational properties of celestite, SrSO, from synchrotron x-ray diffraction, thermal diffuse scattering and Raman scattering.

In order to resolve inconsistencies encountered in published data for SrSO[Formula: see text], the elasticity and the phase stability of celestite has been studied using thermal diffuse scattering, high pressure powder synchrotron x-ray diffraction, Raman scattering and DFT calculations. The structure of SrSO[Formula: see text] is found to be stable up to 62 GPa at ambient temperature. The preferred values for the components of the elastic stiffness tensor have been determined using x-ray thermal diffuse scattering and are (in GPa): [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text].

Efficient implementation of a local tomography reconstruction algorithm.

We propose an efficient implementation of an interior tomography reconstruction method based on a known subregion. This method iteratively refines a reconstruction, aiming at reducing the local tomography artifacts. To cope with the ever increasing data volumes, this method is highly optimized on two aspects: firstly, the problem is reformulated to reduce the number of variables, and secondly, the operators involved in the optimization algorithms are efficiently implemented.

Full Elasticity Tensor from Thermal Diffuse Scattering.

We present a method for the precise determination of the full elasticity tensor from a single crystal diffraction experiment using monochromatic x rays. For the two benchmark systems calcite and magnesium oxide, we show that the measurement of thermal diffuse scattering in the proximity of Bragg reflections provides accurate values of the complete set of elastic constants. This approach allows for a reliable and model-free determination of the elastic properties and can be performed together with crystal structure investigation in the same experiment.

A practical local tomography reconstruction algorithm based on a known sub-region.

A new method to reconstruct data acquired in a local tomography setup is proposed. This method uses an initial reconstruction and refines it by correcting the low-frequency artifacts, known as the cupping effect. A basis of Gaussian functions is used to correct the initial reconstruction.

Ring artifacts correction in compressed sensing tomographic reconstruction.

Ring artifacts are a very common problem in tomographic reconstruction, and numerous methods exist to either pre-process the sinogram or correct the reconstructed slice. A novel approach to perform the correction as part of the reconstruction process is presented. It is shown that for iterative techniques, which amount to optimizing an objective function, the ring artifacts correction can be easily integrated in the formalism, enabling simultaneous slice reconstruction and ring artifacts correction.

Lattice dynamics of α-cristobalite and the Boson peak in silica glass.

The lattice dynamics of the silica polymorph [Formula: see text]-cristobalite has been investigated by a combination of diffuse and inelastic x-ray scattering and ab initio lattice dynamics calculations. Phonon dispersion relations and vibrational density of states are reported and the phonon eigenvectors analyzed by a detailed comparison of scattering intensities. The experimentally validated calculation is used to identify the vibration contributing most to the first peak in the density of vibrational states.

A dictionary learning approach with overlap for the low dose computed tomography reconstruction and its vectorial application to differential phase tomography.

X-ray based Phase-Contrast Imaging (PCI) techniques have been demonstrated to enhance the visualization of soft tissues in comparison to conventional imaging methods. Nevertheless the delivered dose as reported in the literature of biomedical PCI applications often equals or exceeds the limits prescribed in clinical diagnostics. The optimization of new computed tomography strategies which include the development and implementation of advanced image reconstruction procedures is thus a key aspect.

Tomographic reconstruction of the refractive index with hard X-rays: an efficient method based on the gradient vector-field approach.

The refractive-index gradient vector field approach establishes a connection between a tomographic data set of differential phase contrast images and the distribution of the partial spatial derivatives of the refractive index in an object. The reconstruction of the refractive index in a plane requires the integration of its gradient field. This work shows how this integration can be efficiently performed by converting the problem to the Poisson equation, which can be accurately solved even in the case of noisy and large datasets.

Lattice dynamics of coesite.

The lattice dynamics of coesite has been studied by a combination of diffuse x-ray scattering, inelastic x-ray scattering and ab initio lattice dynamics calculations. The combined technique gives access to the full lattice dynamics in the harmonic description and thus eventually provides detailed information on the elastic properties, the stability and metastability of crystalline systems. The experimentally validated calculation was used for the investigation of the eigenvectors, mode character and their contribution to the density of vibrational states.

Efficient and accurate solver of the three-dimensional screened and unscreened Poisson's equation with generic boundary conditions.

We present an explicit solver of the three-dimensional screened and unscreened Poisson's equation, which combines accuracy, computational efficiency, and versatility. The solver, based on a mixed plane-wave/interpolating scaling function representation, can deal with any kind of periodicity (along one, two, or three spatial axes) as well as with fully isolated boundary conditions. It can seamlessly accommodate a finite screening length, non-orthorhombic lattices, and charged systems.

Three-dimensional synchrotron virtual paleohistology: a new insight into the world of fossil bone microstructures.

The recent developments of phase-contrast synchrotron imaging techniques have been of great interest for paleontologists, providing three-dimensional (3D) tomographic images of anatomical structures, thereby leading to new paleobiological insights and the discovery of new species. However, until now, it has not been used on features smaller than 5-7 μm voxel size in fossil bones. Because much information is contained within the 3D histological architecture of bone, including an ontogenetic record, crucial for understanding the paleobiology of fossil species, the application of phase-contrast synchrotron tomography to bone at higher resolutions is potentially of great interest.

Ground-state and excitation spectra of a strongly correlated lattice by the coupled cluster method.

The coupled cluster method is applied to a strongly correlated lattice Hamiltonian, and the coupled cluster linear response method is extended to the calculation of electronic spectra by finding an approximation to a resolvent operator which describes the spectral response of the coupled cluster solution to excitation operators. In this spectral coupled cluster method, the ground and excited states appear as resonances in the spectra, and the resolvent can be iteratively improved in selected spectral regions. The method is applied to a MnO(2) plane model which corresponds to previous experimental works.

Photoinduced melting of antiferromagnetic order in La(0.5)Sr(1.5)MnO4 measured using ultrafast resonant soft x-ray diffraction.

We used ultrafast resonant soft x-ray diffraction to probe the picosecond dynamics of spin and orbital order in La(0.5)Sr(1.5)MnO(4) after photoexcitation with a femtosecond pulse of 1.

The effect of core-valence intra-atomic quadrupolar interaction in resonant x-ray scattering at the Dy M4,5 edges in DyB2C2.

The dependences on energy of the resonant soft x-ray Bragg diffraction intensities in DyB(2)C(2) for the (00½) reflection at the Dy M(4,5) edges have been calculated with an atomic multiplet Hamiltonian including the effect of the crystal field and introducing an intra-atomic quadrupolar interaction between the 3d core and 4f valence shell. These calculations are compared with experimental results (Mulders et al 2006 J. Phys.

Orbital order at Mn and O sites and absence of Zener polaron formation in manganites.

We report the doping dependence of the ground state of A-site ordered manganites below and above half doping. Energy and polarization dependence of the orbital reflection, taken by resonant soft-x-ray powder diffraction, at both Mn L(2,3) and O K edges, provides direct evidence for orbital order at Mn(3+) and oxygen sites and absence of Zener polaron formation. For x > or = 0.

Numerical and experimental study of grating efficiency for synchrotron monochromators.

The development of third-generation synchrotron sources has stimulated efforts toward high-resolution monochromators. A good knowledge of grating efficiency is needed to achieve an optimal compromise between resolution and photon flux. Because simple geometric models fail to describe correctly the gratings properties in the UVtosoft-X-ray range, we have developed a simulation software based on differential theory.