Evolution of the magnetic phase transition in MnO confined to channel type matrices. Neutron diffraction study

Neutron diffraction studies of antiferromagnetic MnO confined to MCM-41 type matrices with channel diameters 24-87 A demonstrate a continuous magnetic phase transition in contrast to a discontinuous first order transition in the bulk. The character of the magnetic transition transforms with decreasing channel diameter, showing the decreasing critical exponent and transition temperature, however the latter turns out to be above the N\'eel temperature for the bulk. This enhancement is explained within the framework of Landau theory taking into consideration the ternary interaction of the magnetic and associated structural order parameters.Comment: 6 pages pdf file, including 4 figures, uses revtex4.cl

Pre-K-Edge Structure on Anomalous X-Ray Scattering in LaMnO3

We study the pre-K-edge structure of the resonant X-ray scattering for forbidden reflections (anomalous scattering) in LaMnO3, using the band calculation based on the local density approximation. We find a two-peak structure with an intensity approximately 1/100 of that of the main peak. This originates from a mixing of 4p states of Mn to 3d states of neighboring Mn sites. The effect is enhanced by an interference with the tail of the main peak. The effect of the quadrupole transition is found to be one order of magnitude smaller than that of the dipole transition, modifying slightly the azimuthal-angle dependence.Comment: 4 pages, 5 figures, submitted to J. Phys. Soc. Jp

Unquenched large orbital magnetic moment in NiO

Magnetic properties of NiO are investigated by incorporating the spin-orbit interaction in the LSDA+U scheme. It is found that the large part of orbital moment remains unquenched in NiO. The orbital moment contributes about mu_L = 0.29 mu_B to the total magnetic moment of M = 1.93 mu_B, as leads to the orbital-to-spin angular momentum ratio of L/S = 0.36. The theoretical values are in good agreement with recent magnetic X-ray scattering measurements.Comment: 4 pages, 2 figure

Resonant X-Ray Magnetic Scattering from CoO

We analyze the recent experiment [W. Neubeck {\em et al.}, Phys. Rev. B \vol(60,1999,R9912)] for the resonant x-ray magnetic scattering (RXMS) around the K edge of Co in the antiferromagnet CoO. We propose a mechanism of the RXMS to make the $4p$ states couple to the magnetic order: the intraatomic exchange interaction between the $4p$ and the $3d$ states and the $p$-$d$ mixing to the $3d$ states of neighboring Co atoms. These couplings induce the orbital moment in the $4p$ states and make the scattering tensor antisymmetric. Using a cluster model, we demonstrate that this modification gives rise to a large RXMS intensity in the dipole process, in good agreement with the experiment. We also find that the pre-edge peak is generated by the transition to the $3d$ states in the quadrupole process, with negligible contribution of the dipole process. We also discuss the azimuthal angle dependence of the intensity.Comment: 15 pages, 8 figure

X-Ray Magnetic Circular Dichroism at the K edge of Mn3GaC

We theoretically investigate the origin of the x-ray magnetic circular dichroism (XMCD) spectra at the K edges of Mn and Ga in the ferromagnetic phase of Mn3GaC on the basis of an ab initio calculation. Taking account of the spin-orbit interaction in the LDA scheme, we obtain the XMCD spectra in excellent agreement with the recent experiment. We have analyzed the origin of each structure, and thus elucidated the mechanism of inducing the orbital polarization in the p symmetric states. We also discuss a simple sum rule connecting the XMCD spectra with the orbital moment in the p symmetric states.Comment: 5 pages, 5 figures, accepted for publication in Physical Review

Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: methodology and applications

Full charge self-consistence (CSC) over the electron density has been implemented into the local density approximation plus dynamical mean-field theory (LDA+DMFT) scheme based on a full-potential linear muffin-tin orbital method (FP-LMTO). Computational details on the construction of the electron density from the density matrix are provided. The method is tested on the prototypical charge-transfer insulator NiO using a simple static Hartree-Fock approximation as impurity solver. The spectral and ground state properties of bcc Fe are then addressed, by means of the spin-polarized T-matrix fluctuation exchange solver (SPTF). Finally the permanent magnet SmCo$_5$ is studied using multiple impurity solvers, SPTF and Hubbard I, as the strength of the local Coulomb interaction on the Sm and Co sites are drastically different. The developed CSC-DMFT method is shown to in general improve on materials properties like magnetic moments, electronic structure and the materials density.Comment: 10 pages, 5 figure

Resonant X-Ray Scattering from URu_{2}Si_{2}

Based on a localized crystal electric field model for the U^{4+} in the (5f)^2-configuration, we analyze the resonant x-ray scattering spectra around U M_{IV} and M_{V} edges in URu_{2}Si_{2}, taking full Coulomb and spin-orbit interactions into account. We consider two level schemes, a singlet model of Santini and Amoretti and a doublet model of Ohkawa and Shimizu, and assume the antiferroquadrupolar order and the antiferromagnetic order as candidates for the ambient pressure phase and the high pressure phase. It is found that the spectral shapes as a function of photon energy are independent of the assumed level scheme, but are quite different between the antiferroquadrupole and antiferromagnetic phases, This may be useful to determine the character of the ordered phase.Comment: 8 pages, 5 figures, submitted to JPS

Global perspectives on heart disease rehabilitation and secondary prevention: a scientific statement from the Association of Cardiovascular Nursing and Allied Professions, European Association of Preventive Cardiology, and International Council of Cardiovascular Prevention and Rehabilitation

Cardiovascular disease is a leading cause of death, morbidity, disability, and reduced health-related quality of life, as well as economic burden worldwide, with some 80% of disease burden occurring in the low- and middle-income country (LMIC) settings. With increasing numbers of people living longer with symptomatic disease, the effectiveness and accessibility of secondary preventative and rehabilitative health services have never been more important. Whilst LMICs experience the highest prevalence and mortality rates, the global approach to secondary prevention and cardiac rehabilitation, which mitigates this burden, has traditionally been driven from clinical guidelines emanating from high-income settings. This state-of-the art review provides a contemporary global perspective on cardiac rehabilitation and secondary prevention, contrasting the challenges of and opportunities for high vs. lower income settings. Actionable solutions to overcome system, clinician, programme, and patient level barriers to cardiac rehabilitation access in LMICs are provided

First-principles modeling of the polycyclic aromatic hydrocarbons reduction

Density functional theory modelling of the reduction of realistic nanographene molecules (C42H18, C48H18 and C60H24) by molecular hydrogen evidences for the presence of limits in the hydrogenation process. These limits caused the contentions between three-fold symmetry of polycyclic aromatic hydrocarbon molecules and two-fold symmetry of adsorbed hydrogen pairs. Increase of the binding energy between nanographenes during reduction is also discussed as possible cause of the experimentally observed limited hydrogenation of studied nanographenes.Comment: 18 pages, 7 figures, accepted to J. Phys. Chem.