First principles modelling of magnesium titanium hydrides

Mixing Mg with Ti leads to a hydride Mg(x)Ti(1-x)H2 with markedly improved (de)hydrogenation properties for x < 0.8, as compared to MgH2. Optically, thin films of Mg(x)Ti(1-x)H2 have a black appearance, which is remarkable for a hydride material. In this paper we study the structure and stability of Mg(x)Ti(1-x)H2, x= 0-1 by first-principles calculations at the level of density functional theory. We give evidence for a fluorite to rutile phase transition at a critical composition x(c)= 0.8-0.9, which correlates with the experimentally observed sharp decrease in (de)hydrogenation rates at this composition. The densities of states of Mg(x)Ti(1-x)H2 have a peak at the Fermi level, composed of Ti d states. Disorder in the positions of the Ti atoms easily destroys the metallic plasma, however, which suppresses the optical reflection. Interband transitions result in a featureless optical absorption over a large energy range, causing the black appearance of Mg(x)Ti(1-x)H2.Comment: 22 pages, 9 figures, 4 table

Spin-Wave Spectrum in `Single-Domain' Magnetic Ground State of Triangular Lattice Antiferromagnet CuFeO2

By means of neutron scattering measurements, we have investigated spin-wave excitation in a collinear four-sublattice (4SL) magnetic ground state of a triangular lattice antiferromagnet CuFeO2, which has been of recent interest as a strongly frustrated magnet, a spin-lattice coupled system and a multiferroic. To avoid mixing of spin-wave spectrum from magnetic domains having three different orientations reflecting trigonal symmetry of the crystal structure, we have applied uniaxial pressure on [1-10] direction of a single crystal CuFeO2. By elastic neutron scattering measurements, we have found that only 10 MPa of the uniaxial pressure results in almost 'single domain' state in the 4SL phase. We have thus performed inelastic neutron scattering measurements using the single domain sample, and have identified two distinct spin- wave branches. The dispersion relation of the upper spin-wave branch cannot be explained by the previous theoretical model [R. S. Fishman: J. Appl. Phys. 103 (2008) 07B109]. This implies the importance of the lattice degree of freedom in the spin-wave excitation in this system, because the previous calculation neglected the effect of the spin-driven lattice distortion in the 4SL phase. We have also discussed relationship between the present results and the recently discovered "electromagnon" excitation.Comment: 5 pages, 3 figures, accepted for publication in J. Phys. Soc. Jp

Superconductivity in novel BiS2-based layered superconductor LaO1-xFxBiS2

Layered superconductors have provided some interesting fields in condensed matter physics owing to the low dimensionality of their electronic states. For example, the high-Tc (high transition temperature) cuprates and the Fe-based superconductors possess a layered crystal structure composed of a stacking of spacer (blocking) layers and conduction (superconducting) layers, CuO2 planes or Fe-Anion layers. The spacer layers provide carriers to the conduction layers and induce exotic superconductivity. Recently, we have reported superconductivity in the novel BiS2-based layered compound Bi4O4S3. It was found that superconductivity of Bi4O4S3 originates from the BiS2 layers. The crystal structure is composed of a stacking of BiS2 superconducting layers and the spacer layers, which resembles those of high-Tc cuprate and the Fe-based superconductors. Here we report a discovery of a new type of BiS2-based layered superconductor LaO1-xFxBiS2, with a Tc as high as 10.6 K.Comment: 23 pages, 5 figures, 1 table (table caption has been revised), to appear in J. Phys. Soc. Jp

Crystal structure of Cu-Sn-In alloys around the {\eta} phase field studied by neutron diffraction

The study of the Cu-Sn-In ternary system has become of great importance in recent years, due to new environmental regulations forcing to eliminate the use of Pb in bonding technologies for electronic devices. A key relevant issue concerns the intermetallic phases which grow in the bonding zone and are determining in their quality and performance. In this work, we focus in the {\eta}-phase (Cu2In or Cu6Sn5) that exists in both end binaries and as a ternary phase. We present a neutron diffraction study of the constitution and crystallography of a series of alloys around the 60 at.% Cu composition, and with In contents ranging from 0 to 25 at.%, quenched from 300\degreeC. The alloys were characterized by scanning electron microscopy, probe microanalysis and high-resolution neutron diffraction. The Rietveld refinement of neutron diffraction data allowed to improve the currently available model for site occupancies in the hexagonal {\eta}-phase in the binary Cu-Sn as well as in ternary alloys. For the first time, structural data is reported in the ternary Cu-Sn-In {\eta}-phase as a function of composition, information that is of fundamental technological importance as well as valuable input data for ongoing modelisations of the ternary phase diagram.Comment: 8 pages, 10 figure

On Quantum Markov Chains on Cayley tree II: Phase transitions for the associated chain with XY-model on the Cayley tree of order three

In the present paper we study forward Quantum Markov Chains (QMC) defined on a Cayley tree. Using the tree structure of graphs, we give a construction of quantum Markov chains on a Cayley tree. By means of such constructions we prove the existence of a phase transition for the XY-model on a Cayley tree of order three in QMC scheme. By the phase transition we mean the existence of two now quasi equivalent QMC for the given family of interaction operators $\{K_{}\}$.Comment: 34 pages, 1 figur

Effects of antenatal betamethasone on preterm human and mouse ductus arteriosus: comparison with baboon data.

BackgroundAlthough studies involving preterm infants ≤34 weeks gestation report a decreased incidence of patent ductus arteriosus after antenatal betamethasone, studies involving younger gestation infants report conflicting results.MethodsWe used preterm baboons, mice, and humans (≤276/7 weeks gestation) to examine betamethasone's effects on ductus gene expression and constriction both in vitro and in vivo.ResultsIn mice, betamethasone increased the sensitivity of the premature ductus to the contractile effects of oxygen without altering the effects of other contractile or vasodilatory stimuli. Betamethasone's effects on oxygen sensitivity could be eliminated by inhibiting endogenous prostaglandin/nitric oxide signaling. In mice and baboons, betamethasone increased the expression of several developmentally regulated genes that mediate oxygen-induced constriction (K+ channels) and inhibit vasodilator signaling (phosphodiesterases). In human infants, betamethasone increased the rate of ductus constriction at all gestational ages. However, in infants born ≤256/7 weeks gestation, betamethasone's contractile effects were only apparent when prostaglandin signaling was inhibited, whereas at 26-27 weeks gestation, betamethasone's contractile effects were apparent even in the absence of prostaglandin inhibitors.ConclusionsWe speculate that betamethasone's contractile effects may be mediated through genes that are developmentally regulated. This could explain why betamethasone's effects vary according to the infant's developmental age at birth

Rietveld refinement of Sr5(AsO4)3Cl from high-resolution synchrotron data

The apatite-type compound, penta­strontium tris­[arsenate(V)] chloride, Sr5(AsO4)3Cl, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite [Pb5(AsO4)3Cl] with SrCO3 as a by-product. The results of the Rietveld refinement, based on high resolution synchrotron X-ray powder diffraction data, show that the title compound crystallizes in the same structure as other halogenoapatites with general formula A 5(YO4)3 X (A = divalent cation, Y = penta­valent cation, and X = F, Cl or Br) in the space group P63/m. The structure consists of isolated tetra­hedral AsO4 3− anions (the As atom and two O atoms have m symmetry), separated by two crystallographically independent Sr2+ cations that are located on mirror planes and threefold rotation axes, respectively. One Sr atom is coordinated by nine O atoms and the other by six. The chloride anions (site symmetry ) are at the 2a sites and are located in the channels of the structure

Argentina, Brasil e Paraguai: educação superior e seus marcos normativos

O presente artigo é parte de relatório da pesquisa interinstitucional e internacional intitulada “Dilemas de nuevas culturas de producción de conocimiento. Los postgrados en Argentina, Brasil y Paraguay en el contexto de la evaluación de la calidad de la educación superior” e tem como objetivo compartilhar resultados referentes à etapa de descrição, a partir do desenho metodológico da pesquisa. O texto está dividido em duas partes: na primeira, apresentamos a metodologia da pesquisa, baseada em literatura da educação comparada; na segunda, há uma divisão entre a dimensão dos aspectos nacionais, com foco na definição de marco normativo em contraposição ao marco regulatório e no contexto macro legal da Educação Superior no Brasil, e a dimensão dos aspectos MERCOSUL, em que destacamos o contexto atual da pós-graduação e apresentamos informações acerca da origem e do desenvolvimento deste nível de ensino nos países envolvidos no projeto. Ao compartilhar os resultados, pretendemos contribuir com a discussão do tema não apenas em estudos nacionais, mas, em especial, para estudos de educação comparada