The crystal structure of a synthetic boehmite sample has been refined to an R of 0.047 in the space group Amam from X-ray powder diffraction data. Inclusion of hydrogen atoms and/or refinement in the space group A21am gave poorer results. Cell dimensions were determined as a = 3.6936 (± 0.0003), b = 12.214 (± 0.001), c = 2.8679 (± 0.0003) Å. All Al-O(OH) distances lie between 1.88 and 1.91 Å. Shared octahedral edges are 2.51–2.52 Å, and unshared octahedral edges are 2.86–2.87 Å, in excellent agreement with those for layered silicates. The O-H … O distance between contiguous octahedral sheets is 2.71 Å. The computed X-ray pattern matches closely with the experimental pattern, indicating the degree to which the crystal structure has been determined.

CT findings in 17 patients and MRI in one patient with post partum psychiatric disorder (PPPD; psychosis: n = 17, depressive neurosis: n = 1) were compared with randomly selected CT scans in non-PPPD patients matched for age and sex. In the PPPD group, 13 examinations (controls: 8) revealed one or several abnormal findings such as sulcal widening, ventricular enlargement and asymmetry. There was a higher prevalence of abnormal CT/MRI findings in the PPPD group (trend, P < 0.1).

The transformation of schwertmannite to goethite was studied by ageing one synthetic and five natural schwertmannites in water at room temperature. Additionally, one synthetic and two natural schwertmannites were kept at variable pH (2, 4, 6 and 8). After one year, only the synthetic sample and one natural schwertmannite had transformed to goethite. However, the oxalate solubility of Fe and trace elements in all the samples decreased, whereas the total Fe/S ratios and specific surface areas of all samples increased. Arsenic and organic matter appeared to suppress the schwertmannite-to-goethite phase transformation. At pH 2, synthetic schwertmannite fully-transformed to goethite, but at pH 4–6 only minor transformation occurred. Depending on pH, many trace elements were released into solution during ageing of the natural schwertmannites. In general, Co, Mn, Zn and Si were released to solution, whereas As was enriched in the remaining iron oxide fraction. Al was dissolved at pH <4.

The literature contains considerable disagreements on the relative stabilities of the members of the copper hydroxyl sulphate family. Titration of copper sulphate with sodium hydroxide is claimed by some to produce only brochantite, while other reports indicate that antlerite and a dihydrate of antlerite are produced in the titration. Most stability field diagrams show that antlerite is the more stable stoichiomer at pH 4 and sulphate activity of 0.05–1. We have reexamined this stoichiometric family by titration of aqueous copper sulphate with sodiumhydroxide and sodium carbonate, reverse titration of sodiumhydroxide with copper sulphate and simultaneous addition of copper sulphate and sodium hydroxide at a variety of mole ratios, concentrations, temperatures and reaction times. We have also explored the reaction of copper hydroxide with copper sulphate and the reaction of weak bases, such as sodiumacetate, sodiumcarbonate and urea, with copper sulphate. Our work indicates that: (1) antlerite is not formed in reactions of 0.05 to 1.2 M CuSO4 with 0.05–1.0 M NaOH or Na2CO3 at room temperature; (2) antlerite is formed in the addition of small concentrations of base (≤0.01 M) to 1 M CuSO4 at 80°C, but not at roomtem perature or with 0.01 M CuSO4 at 80°C; (3) the formation of Cu5(SO4)2(OH)6·4H2O occurs at large Cu2+ to base mole ratios; (4) the compound described in the literature as antlerite dihydrate is actually Cu5(SO4)2(OH)6.4H2O; (5) at mole ratios of Cu2+ to OH– ranging from 2:1 to 1:2 the predominant product is brochantite; and (6) brochantite and Cu5(SO4)2(OH)6.4H2O are converted to antlerite in the presence of 1 M CuSO4 (the latter requires temperatures of 80°C or greater).

The Ksp (ion activity product) values of antlerite and brochantite were determined to be 2.53 (0.01)⨯10−48 and 1.01 (0.01)⨯10−69, respectively, using atomic absorption spectroscopy and Visual MINTEQ after equilibration in solutions of varying ionic strength and pH for six days. These values are in good agreement with those from the literature. However, after 6 months, antlerite in contact with solution is partially converted to brochantite and hence is metastable with a relatively low conversion rate. The Ksp value for antlerite must therefore be considered approximate. The relative stabilities of the copper hydroxyl sulphates are rationalized using appropriate equations and Gibbs energy calculations. A Gibbs free energy of formation for Cu5(SO4)2(OH)6.4H2O of –3442 kJ/mol was obtained from the simple salt approximation.

A new generation of solar instruments provides improved spectral, spatial, and temporal resolution, thus facilitating a better understanding of dynamic processes on the Sun. High-resolution observations often reveal multiple-component spectral line profiles, e.g., in the near-infrared He i 10830 Å triplet, which provides information about the chromospheric velocity and magnetic fine structure. We observed an emerging flux region, including two small pores and an arch filament system, on 2015 April 17 with the ‘very fast spectroscopic mode’ of the GREGOR Infrared Spectrograph (GRIS) situated at the 1.5-meter GREGOR solar telescope at Observatorio del Teide, Tenerife, Spain. We discuss this method of obtaining fast (one per minute) spectral scans of the solar surface and its potential to follow dynamic processes on the Sun. We demonstrate the performance of the ‘very fast spectroscopic mode’ by tracking chromospheric high-velocity features in the arch filament system.

A modified critical point model dielectric function for graphene is derived here and used to analyze spectroscopic ellipsometry data obtained over a wide spectral range from 3 to 9 eV. Critical point and exciton resonance energies are extracted and discussed. Our findings indicate that epitaxial graphene on SiC to exhibits equivalent exciton behavior to that of suspended graphene. We further apply our model dielectric function to evaluate dielectric function data for highly oriented pyrolytic graphite reported in the literature. Excellent agreement is found between the critical point model developed here and the literature data even for the low energy spectral range up to 1 eV.

We report on mid-infrared (600 – 4000 cm-1), refection-type optical-Hall effect measurements on epitaxial graphene grown on C-face silicon carbide and present Landau-level transition features detected at 1.5 K as a function of magnetic field up to 8 Tesla. The Landau-level transitions are detected in reflection configuration at oblique incidence for wavenumbers below, across and above the silicon carbide reststrahlen range. Small Landau-level transition features are enhanced across the silicon carbide reststrahlen range due to surface-guided wave coupling with the electronic Landau-level transitions in the graphene layer. We analyze the spectral and magnetic-field dependencies of the coupled resonances, and compare our findings with previously reported Landau-level transitions measured in transmission configuration [4,5,6]. Additional features resemble transitions previously assigned to bilayer inclusion [21], as well as graphite [15]. We discuss a model description to account for the electromagnetic polarizability of the graphene layers, and which is sufficient for quantitative model calculation of the optical-Hall effect data.

We demonstrate that the anisotropic optical response of metal (cobalt) slanted columnar thin films (STF) at THz frequencies strongly depends on the dielectric properties of the dielectric ambient surrounding the slanted columnar thin films. An effective medium dielectric function approach is used to describe the combined optical response of metal slanted columnar thin film and dielectric ambient. Our observations indicate that metal (cobalt) slanted columnar thin films can be used as sensors which will enable detection and characterization of minute amounts of dielectrics at THz frequencies, such as for flow-based detection of liquid chemical constituents.

One of the multiple capabilities of the new Joint Engineering, Environmental and Processing (JEEP) beamline I12 at Diamond Light Source is the set-up for polychromatic high-energy X-ray diffraction for the study of polycrystalline deformation and residual stresses. The results and interpretation of the first experiments carried out on JEEP are reported. Energy dispersive diffraction patterns from titanium alloy Ti-6Al-4V were collected using the new 23-cell ‘horseshoe’ detector and interpreted using Pawley refinement to determine the residual elastic strains at the macro- and meso-scale. It provides a clear demonstration of the tensile-compressive hardening asymmetry of the hexagonal close-packed grains oriented with the basal plane perpendicular to the loading direction.

Van der Waals (vdW) interactions play a prominent role in the structure and function of organic/organic and organic/inorganic interfaces. Their accurate determination from first principles, however, is a notoriously difficult task. Recently, a surge of interest in modeling vdW interactions has led to promising theoretical developments. This article reviews the state-of-the-art of describing vdW interactions by density-functional theory with respect to accuracy and practicability. The performance of the different methods is demonstrated for simple systems, such as rare-gas dimers and small organic molecules. The nature of binding at organic/inorganic interfaces is then exemplified for the perylene-3,4,9,10-tetracarboxylic-3,4,9,10-dianhydride (PTCDA) molecule at surfaces of coinage metals. This fundamental system is the best-characterized organic molecule/metal interface in experiment and theory. We emphasize the crucial importance of a balanced description of both geometry and electronic structure in order to understand and model the properties of such systems. Finally, the relevance of vdW interactions to the function of actual devices based on interfaces is discussed.

Extended abstract of a paper presented at Microscopy and Microanalysis 2008 in Albuquerque, New Mexico, USA, August 3 – August 7, 2008

We present an infrared spectroscopic ellipsometry investigation of SixNy films deposited on textured Si substrates employed for photovoltaic cells. A multiple-sample data analysis scheme is used in order to determine the SixNy dielectric function and thickness parameters regardless of the surface morphology of the substrate. We observe changes in the dielectric function of the silicon nitride film which suggest variations in the chemical composition of the films depending on the substrate morphology.

We present the adaptive optics assisted, near-infrared VLTI instrument GRAVITY for precision narrow-angle astrometry and interferometric phase referenced imaging of faint objects. With its two fibers per telescope beam, its internal wavefront sensors and fringe tracker, and a novel metrology concept, GRAVITY will not only push the sensitivity far beyond what is offered today, but will also advance the astrometric accuracy for UTs to 10 μas. GRAVITY is designed to work with four telescopes, thus providing phase referenced imaging and astrometry for 6 baselines simultaneously. Its unique capabilities and sensitivity will open a new window for the observation of a wide range of objects, and — amongst others — will allow the study of motion within a few times the event horizon size of the Galactic Center black hole.