1000 resultados para pseudocubic phase


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Cubic cuprates (a not, vert, similar 18.6 Å) with a BaCuO2-type structure were obtained in the Ba-Pb-Cu-O and Ba-Bi-Cu-O systems by the reaction of the component oxides at a high temperature (1370-1420 K), followed by quenching. By annealing these phases in oxygen at 1070-1120 K, perovskite-like phase (a not, vert, similar 4.3 Å) of the formulae BaPb1-xCuxO3-y and BaBi1-xCuxO3-y (0 < x ? 0.5) were obtained. A perovskite of nominal composition BaPb0.25Tl0.25 Cu0.5O3-y, prepared by a similar procedure, was found to be superconducting with a Tc of not, vert, similar 70 K.

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An energy landscape view of phase separation and nonideality in binary mixtures is developed by exploring their potential energy landscape (PEL) as functions of temperature and composition. We employ molecular dynamics simulations to study a model that promotes structure breaking in the solute-solvent parent binary liquid, at low temperatures. The PEL of the system captures the potential energy distribution of the inherent structures (IS) of the system and is obtained by removing the kinetic energy (including that of intermolecular vibrations). The broader distribution of the inherent structure energy for structure breaking liquid than that of the structure making liquid demonstrates the larger role of entropy in stabilizing the parent liquid of the structure breaking type of binary mixtures. At high temperature, although the parent structure of the structure breaking binary mixture is homogenous, the corresponding inherent structure is found to be always phase separated, with a density pattern that exhibits marked correlation with the energy of its inherent structure. Over a broad range of intermediate inherent structure energy, bicontinuous phase separation prevails with interpenetrating stripes as signatures of spinodal decomposition. At low inherent structure energy, the structure is largely phase separated with one interface where as at high inherent structure energy we find nucleation type growth. Interestingly, at low temperature, the average inherent structure energy (< EIS >) exhibits a drop with temperature which signals the onset of crystallization in one of the phases while the other remains in the liquid state. The nonideal composition dependence of viscosity is anticorrelated with average inherent structure energy.

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We use the Density Matrix Renormalization Group and the Abelian bosonization method to study the effect of density on quantum phases of one-dimensional extended Bose-Hubbard model. We predict the existence of supersolid phase and also other quantum phases for this system. We have analyzed the role of extended range interaction parameters on solitonic phase near half-filling. We discuss the effects of dimerization in nearest neighbor hopping and interaction as well as next nearest neighbor interaction on the plateau phase at half-filling.

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Polycrystalline Ti thin films are shown to gradually transform from face-centered cubic (fcc) to hexagonal close-packed structure (hcp) with increasing film thickness. Diffraction stress analysis revealed that the fcc phase is formed in a highly compressive hcp matrix (>= 2 GPa), the magnitude of which decreases with increasing film thickness. A correlation between stress and crystallographic texture vis-a-vis the fcc-hcp phase transformation has been established. The total free energy change of the system upon phase transformation calculated using the experimental results shows that the fcc-hcp transformation is theoretically possible in the investigated film thickness regime (144-720 nm) and the hcp structure is stable for films thicker than 720 nm, whereas the fcc structure can be stabilized in Ti films much thinner than 144 nm. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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In the complex Ginzburg-Landau equation, we consider possible ''phase turbulent'' regimes, where asymptotic correlations are controlled by phase fluctuations rather than by topological defects. Conjecturing that the decay of such correlations is governed by the Kardar-Parisi-Zhang (KPZ) model of growing interfaces, we derive the following results: (1) A scaling ansatz implies that equal-time spatial correlations in 1d, 2d, and 3d decay like e(-Ax2 zeta), where A is a nonuniversal constant, and zeta=1/2 in 1d. (2) Temporal correlations decay as exp(-t(2 beta)h(t/L(z))), with the scaling law <(beta)over bar> = <(zeta)over bar>/z, where z = 3/2, 1.58..., and 1.66..., for d = 1,2, and 3 respectively. The scaling function h(y) approaches a constant as y --> 0, and behaves like y(2(beta-<(beta)over bar>)), for large y. If in 3d the associated KPZ model turns out to be in its weak-coupling (''smooth'') phase, then, instead of the above behavior, the CGLE exhibits rotating long-range order whose connected correlations decay like 1/x in space or 1/t(1/2) in time. (3) For system sizes, L, and times t respectively less than a crossover length, L(c), and time, t(c), correlations are governed by the free-field or Edwards-Wilkinson (EW) equation, rather than the KPZ model. In 1d, we find that L(c) is large: L(c) similar to 35,000; for L < L(c) we show numerical evidence for stretched exponential decay of temporal correlations with an exponent consistent with the EW value beta(EW)= 1/4.

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We study the generation of coherent optical phonons in spin-frustrated pyrochlore single crystals Dy2Ti2O7, Gd2Ti2O7, and Tb2Ti2O7 using femtosecond laser pulses (65 fs, 1.57 eV) in degenerate time-resolved transmission experiments as a function of temperature from 4 to 296 K. At 4 K, two coherent phonons are observed at similar to 5.3 THz (5.0 THz) and similar to 9.3 THz (9.4 THz) for Dy2Ti2O7 (Gd2Ti2O7), whereas three coherent phonons are generated at similar to 5.0, 8.6, and 9.7 THz for Tb2Ti2O7. In the case of spin-ice Dy2Ti2O7, a clear discontinuity is observed in the linewidths of both the coherent phonons as well as in the phase of lower-energy coherent phonon mode, indicating a subtle structural change at 110 K. Another important observation is a phase difference of pi between the modes in all the samples, thus suggesting that the driving forces behind the generation of these modes could be different in nature, unlike a purely impulsive or displacive mechanism.

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We report the results of Monte Carlo simulation of oxygen ordering in the oxygen deficient portion (x<0.5) of YBa2Cu3O6+x at low temperatures. We find qualitative agreement among cluster - variation, Monte Carlo and transfer matrix methods. However, low temperature and ground state simulations clearly indicate the presence of a tetragonal phase. There is also evidence for two second order phase transition lines separating the tetragonal and the �double cell� ortho II phase. The effect of decreasing the inter-chain repulsion on oxygen ordering has also been investigated.

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A model hamiltonian previously introduced to study the oxygen ordering is considered. The phase boundary is isolated by studying the relaxation behaviour of the order parameters. Our results are consistent with the published Monte Carlo results except at low temperatures.

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Mass spectrometric studies show that contact-arc vaporization of graphite in a partial atmosphere of N2 or NH3 yields nitrogenous products tentatively assigned to species such as C70N2, C59N6, C59N4 and C59N2 involving addition of or substitution by nitrogen along with the species due to C2 and C4 losses. Mass spectrometry and other techniques have been employed to identify products of the nucleophilic addition of aliphatic amines to C60 and C70 in solution phase.

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A binary aqueous suspension of large (L) and small (S) nearly-hard-sphere colloidal polystyrene spheres is shown to segregate spontaneously into L-rich and S-rich regions for suitable choices of volume fraction and size ratio. This is the first observation of such purely entropic phase separation of chemically identical species in which at least one component remains fluid. Simple theoretical arguments are presented to make this effect plausible.

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The perovskite structure in Pb(Zn1/3Nb2/3)O3 can be stabilized by the addition of Pb(Ni1/3Nb2/3)O3 and PbTiO3.Pb(Ni1/3Nb2/3)O3 assists in lowering the sintering temperature and shifting the Curie temperature of ceramics while PbTiO3 helps to optimize the dielectric properties. The phase stability and dielectric properties of several compositions in the Pb(Zn1/3Nb2/3)O3-Pb(Ni1/3Nb2/3)O3-PbTiO3 ternary relaxor ferroelectric system were investigated for possible capacitor applications. The effect of calcining and sintering temperature on the stability of perovskite phase in PZN rich compositions was studied extensively as a function of composition. The boundary line separating perovskite and mixed phases was determined for compositions near PZN. Several compositions can be sintered below 1050°C. The dielectric properties of compositions near the mixed phase boundary showed strong dependence on the percentage of pyrochlore phase. Compositions with a dielectric constant of 12.500 at room temperature have been identified which meet Z5T and Y5U specifications for dielectric constant and tan δ.

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The solution- and melt-phase photochemistry of four trans-benzylidene-d,l-piperitones (1) has been investigated under a variety of conditions. The 1 undergo trans reversible cis isomerization to establish a quasi photostationary state. Further irradiation leads to 2 via oxidative ring closure. Conspicuously absent are dimers (obtained upon irradiation of the neat crystals) and the plausible Norrish Type II photoproducts, 3. Although 1c yields 2c, no evidence for the alternative cyclization route to 2a (requiring loss of HCl) has been observed. Rationalizations for the transformations are presented. The structure of 2b has been determined unambiguously from X-ray crystallographic analysis.