Ab initio study of the influence of nanoscale doping inhomogeneities in the phase separated state of La1−x_{1-x}Cax_{x}MnO3_3

The chemical influence in the phase separation phenomenon that occurs in perovskite manganites is discussed by means of ab initio calculations. Supercells have been used to simulate a phase separated state, that occurs at Ca concentrations close to the localized to itinerant crossover. We have first considered a model with two types of magnetic ordering coexisting within the same compound. This is not stable. However, a non-isotropic distribution of chemical dopants is found to be the ground state. This leads to regions in the system with different effective concentrations, that would always accompany the magnetic phase separation at the same nanometric scale, with hole-rich regions being more ferromagnetic in character and hole-poor regions being in the antiferromagnetic region of the phase diagram, as long as the system is close to a phase crossover.Comment: 8 pages, 7 figures, 1 tabl

Fermiology and transport properties of the half-metallic itinerant ferromagnet CoS2_2: influence of spin orbit coupling

Electronic structure calculations were performed on the compound CoS$_2$, an itinerant ferromagnet whose magnetic properties can be understood in terms of spin fluctuation theory. We have identified nesting features in the Fermi surface of the compound, active for long wavelength spin fluctuations. The electronic structure of the material is close to a half-metal. We show the importance of introducing spin-orbit coupling (SOC) in the calculations, that partially destroys the half-metallicity of the material. By means of transport properties calculations, we have quantified the influence of SOC in the conductivity at room temperature, with an important decrease comparing to the GGA alone conductivity. SOC also helps to understand the negative 0 of the material, whose conductivity varies by a few percent with the introduction of small perturbations in the states around the Fermi level.Comment: 8 pages, 8 figure

Pressure-induced metal-insulator transition in MgV_2O_4

On the basis of experimental thermoelectric power results and ab initio calculations, we propose that a metal-insulator transition takes place at high pressure (approximately 6 GPa) in MgV_2O_4.Comment: 2 pages, 3 figures, accepted in Physica B (Strongly Correlated Electron Systems '07

Enhanced dimerization of TiOCl under pressure: spin-Peierls - to - Peierls transition

We report high-pressure x-ray diffraction and magnetization measurements combined with ab-initio calculations to demonstrate that the high-pressure optical and transport transitions recently reported in TiOCl, correspond in fact to an enhanced Ti3+-Ti3+ dimerization existing already at room temperature. Our results confirm the formation of a metal-metal bond between Ti3+ ions along the b-axis of TiOCl, accompanied by a strong reduction of the electronic gap. The evolution of the dimerization with pressure suggests a crossover from the spin-Peierls to a conventional Peierls situation at high pressures.Comment: 9pages, 4 figure

Biomechanical analysis of the penalty-corner drag-flick of elite male and female hockey players

The aim of this study was to analyse the kinematic sequencing in the penalty-corner drag-flicks of elite male and female field hockey players of international calibre. Thirteen participants (one skilled male drag-flicker and six male and six female elite players) participated in the study. An optoelectronic motion analysis system was used to capture the drag-flicks with six cameras, sampling at 250 Hz. Select ground reaction force parameters were obtained from a force platform which registered the last support of the front foot. Twenty trials were captured from each subject. Both player groups showed significantly (p < 0.05) smaller ball velocity at release, peak angular velocity of the pelvis, and negative and positive peak angular velocities of the stick than the skilled subject. Normalised ground reaction forces of the gender groups were also smaller than that of the skilled drag-flicker. By comparing these players we established that the cues of the skill level are a wide stance, a whipping action (rapid back lift) of the stick followed by an explosive sequential movement of the pelvis, upper trunk and stick

The age-mass relation for chromospherically active binaries - III. Lithium depletion in giant components

We present a study of the lithium abundances of a sample of evolved components of Chromospherically Active Binary Systems. We show that a significant part of them have lithium excesses, independently of their mass and evolutionary stage. Therefore, it can be concluded that Li abundance does not depend on age for giant components of CABS. These overabundances appear to be closely related to the stellar rotation, and we interpret them as a consequence of the transfer of angular momentum from the orbit to the rotation as the stars evolve: in and off the Main Sequence, in a similar way as it happens in the dwarf components of the same systems and in the Tidally Locked Binaries belonging to the Hyades and M67

Synthesis of β‐ 3 H‐mitotane for use in a rapid assay for mitotane metabolism

A 3 H + ‐release method has been developed for the assay of β‐hydroxylation of the adrenolytic drug mitotane. β‐ 3 H‐mitotane was synthesized by the reduction of 1‐(2‐chlorophenyl)‐1‐(4‐chlorophenyl)‐2,2,2‐trichloroethane by an aluminium‐Hg 2 Cl 2 couple in the presence of 3 H 2 O. For β‐hydroxylation of mitotane, the 3 H + ‐release assay is more efficient and sensitive than a method utilizing 14 C‐mitotane and chromatographic separation of metabolites by HPLC. The 3 H + ‐release assay has been used to evaluate the ability of adrenal tumors to metabolize mitotane via the β‐ hydroxylation route.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/90382/1/2580360204_ftp.pd

Electronic structure analysis of the quasi-one-dimensional oxide Sr6Co5O15 within the LDA+U method

The quasi-one-dimensional cobalt oxide Sr6Co5O15 is studied using first-principles electronic-structure calculations and Boltzmann transport theory. We have been able to describe the electronic structure, characterized by the structural one-dimensionality and a particular type of charge ordering, with unexpected electronic structure of the different Co atoms. The origin of the large unquenched misaligned orbital angular momenta comes out naturally from a correct description of the different crystal-field environments. The evolution with the on-site Coulomb repulsion (U) of the electronic structure and the transport properties is discussed, with a best agreement with experiment found for the smallest value of U that allows to converge the correct in-chain ferrimagnetic ground state.Fil: Botana, A. S.. Universidad de Santiago de Compostela; EspañaFil: Botta, Pablo Martín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Mar del Plata. Instituto de Investigación en Ciencia y Tecnología de Materiales (i); Argentina. Universidad Nacional de Mar del Plata. Facultad de Ingeniería; ArgentinaFil: De la Calle, C.. Instituto de Ciencia de Materiales de Madrid; EspañaFil: Piñeiro, A.. Universidad de Santiago de Compostela; EspañaFil: Pardo, V.. Universidad de Santiago de Compostela; EspañaFil: Botana, J.. Universidad de Santiago de Compostela; EspañaFil: Pereiro, M.. Universidad de Santiago de Compostela; EspañaFil: Baldomir, D.. Universidad de Santiago de Compostela; EspañaFil: Alonso, J. A.. Instituto de Ciencia de Materiales de Madrid; EspañaFil: Arias, J. E.. Universidad de Santiago de Compostela; Españ

Hard Two-Photon Contribution to Elastic Lepton-Proton Scattering: Determined by the OLYMPUS Experiment

The OLYMPUS collaboration reports on a precision measurement of the positron-proton to electron-proton elastic cross section ratio, $R_{2\gamma}$, a direct measure of the contribution of hard two-photon exchange to the elastic cross section. In the OLYMPUS measurement, 2.01~GeV electron and positron beams were directed through a hydrogen gas target internal to the DORIS storage ring at DESY. A toroidal magnetic spectrometer instrumented with drift chambers and time-of-flight scintillators detected elastically scattered leptons in coincidence with recoiling protons over a scattering angle range of $\approx 20\degree$ to $80\degree$. The relative luminosity between the two beam species was monitored using tracking telescopes of interleaved GEM and MWPC detectors at $12\degree$, as well as symmetric M{\o}ller/Bhabha calorimeters at $1.29\degree$. A total integrated luminosity of 4.5~fb$^{-1}$ was collected. In the extraction of $R_{2\gamma}$, radiative effects were taken into account using a Monte Carlo generator to simulate the convolutions of internal bremsstrahlung with experiment-specific conditions such as detector acceptance and reconstruction efficiency. The resulting values of $R_{2\gamma}$, presented here for a wide range of virtual photon polarization $0.456<\epsilon<0.978$, are smaller than some hadronic two-photon exchange calculations predict, but are in reasonable agreement with a subtracted dispersion model and a phenomenological fit to the form factor data.Comment: 5 pages, 3 figures, 2 table

Worries about being judged versus being harmed: Disentangling the association of social anxiety and paranoia with schizotypy

Paranoia is a dimension of clinical and subclinical experiences in which others are believed to have harmful intentions. Mild paranoid concerns are relatively common in the general population, and more clinically severe paranoia shares features with social anxiety and is a key characteristic of schizotypy. Given that subclinical manifestations of schizotypy and paranoia may predict the occurrence of more severe symptoms, disentangling the associations of these related constructs may advance our understanding of their etiology; however no known studies to date have comprehensively evaluated how paranoia relates to social anxiety and schizotypy. The current research sought to examine the association of paranoia, assessed across a broad continuum of severity, with 1) the positive and negative schizotypy dimensions and 2) social anxiety. Specifically, the study tested a series of six competing, a priori models using confirmatory factor analysis in a sample of 862 young adults. As hypothesized, the data supported a four-factor model including positive schizotypy, negative schizotypy, social anxiety, and paranoia factors, suggesting that these are distinct constructs with differing patterns of interrelationships. Paranoia had a strong association with positive schizotypy, a moderate association with social anxiety, and a minimal association with negative schizotypy. The results are consistent with paranoia being part of a multidimensional model of schizotypy and schizophrenia. Prior studies treating schizotypy and schizophrenia as homogenous constructs often produce equivocal or non-replicable results because these dimensions are associated with distinct etiologies, presentations, and treatment responses; thus, the present conceptualization of paranoia within a multidimensional schizotypy framework should advance our understanding of these constructs. © 2014 Horton et al