The paramagnetic phase boundary of EuTe at low temperatures

Taking into account the presence of long-range dipolar interactions, we propose a model hamiltonian to calculate the canted-paramagnetic phase boundary of EuTe at low temperatures. By using spin-wave techniques we show that the critical field depends on T2 asymptotically. Our calculations are in good agreement with the experimental data. © 1981.

Estudo estrutural, morfológico, elétrico e óptico de cristais de a-Ag2WO4 dopados com Mo6+ via co-precipitação assistida por PVP

Pós-graduação em Química - IQ

Taylor's power law for ecological communities: an explanation on nonextensive/nonlinear statistical grounds

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Simulação de Monte Carlo: de modelos de spin à teoria de campos na rede

Pós-graduação em Física - IFT

Obtaining NiAl intermetallic compound using different milling devices

NiAl intermetallic compound was synthesized by mechanical alloying technique in planetary and attritor mills. The starting powders consisted of elemental mixtures of Ni and Al at Ni50Al50(at%) composition. In the planetary mill, compound formation occurred gradually during mechanical alloying, while the occurrence of a mechanically induced self-propagating reaction (MSR) can be suggested in the attritor mill. The NiAl obtained in both mill types was partially disordered with long-range order parameter not inferior to 0.66. Quantitative phase analysis using the Rietveld method was performed in as-milled samples, and this method was also employed to estimate changes in crystallite size and lattice strain of the NiAl produced during mechanical alloying. (C) 2011 The Society of Powder Technology Japan. Published by Elsevier B.V. and The Society of Powder Technology Japan. All rights reserved.

PbO-GeO2 rare earth doped glasses with silver nanoparticles as materials for IR laser triggers

We have shown the possibility of operation by the piezooptical response of PbO-GeO2 glasses doped with rare earth ions and silver nanoparticles by illumination of double frequency CO2 nanosecond laser. Substantial influence of thermoannealing on the output photoinduced elastooptical susceptibilities was established. The effect is very sensitive to temperature and to the corresponding tensor components. The effect of thermoannealing leads to enhanced long-range ordering with the occurrence of corresponding trapping levels within the forbidden gaps. The discovered effects may be used for creation of low-temperature IR laser triggers.

On the nu SiO infrared absorption of polysiloxane films

The infrared absorption of polysiloxanes involves a strong band at around 1050 cm(-1), attributed to the antisymmetric vibration of siloxane bridges. The splitting of this band into two components is generally attributed to coupling between next-neighbor siloxane groups along the polysiloxane chain. From a quantitative analysis of the spectra of these materials, we find that this splitting is larger when the material is in thin-film form, and that the relative intensity of the two components is polarization dependent. We show that these effects are fully understandable in the theoretical framework of infrared absorption by thin films, and are related to long-range dipolar interactions responsible for the longitudinal-transverse splitting effect in crystalline materials. As a consequence, the polarization dependence of the infrared absorption observed for thin films does not appear to be associated with an orientational ordering in the film. (c) 2012 Elsevier B.V. All rights reserved.

Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules

Some atomic multipoles (charges, dipoles and quadrupoles) from the Quantum Theory of Atoms in Molecules (QTAIM) and CHELPG charges are used to investigate interactions between a proton and a molecule (F2, Cl2, BF, AlF, BeO, MgO, LiH, H2CO, NH3, PH3, BF3, and CO2). Calculations were done at the B3LYP/6-311G(3d,3p) level. The main aspect of this work is the investigation of polarization effects over electrostatic potentials and atomic multipoles along a medium to long range of interaction distances. Large electronic charge fluxes and polarization changes are induced by a proton mainly when this positive particle approaches the least electronegative atom of diatomic heteronuclear molecules. The search for simple equations to describe polarization on electrostatic potentials from QTAIM quantities resulted in linear relations with r-4 (r is the interaction distance) for many cases. Moreover, the contribution from atomic dipoles to these potentials is usually the most affected contribution by polarization what reinforces the need for these dipoles to a minimal description of purely electrostatic interactions. Finally, CHELPG charges provide a description of polarization effects on electrostatic potentials that is in disagreement with physical arguments for certain of these molecules. (c) 2012 Wiley Periodicals, Inc.

Percolation transition in quantum Ising and rotor models with sub-Ohmic dissipation

We investigate the influence of sub-Ohmic dissipation on randomly diluted quantum Ising and rotor models. The dissipation causes the quantum dynamics of sufficiently large percolation clusters to freeze completely. As a result, the zero-temperature quantum phase transition across the lattice percolation threshold separates an unusual super-paramagnetic cluster phase from an inhomogeneous ferromagnetic phase. We determine the low-temperature thermodynamic behavior in both phases, which is dominated by large frozen and slowly fluctuating percolation clusters. We relate our results to the smeared transition scenario for disordered quantum phase transitions, and we compare the cases of sub-Ohmic, Ohmic, and super-Ohmic dissipation.

Supersymmetric extension of the quantum spherical model

In this work, we present a supersymmetric extension of the quantum spherical model, both in components and also in the superspace formalisms. We find the solution for short- and long-range interactions through the imaginary time formalism path integral approach. The existence of critical points (classical and quantum) is analyzed and the corresponding critical dimensions are determined.

Alzheimer random walk model: Two previously overlooked diffusion regimes

A non-Markovian one-dimensional random walk model is studied with emphasis on the phase-diagram, showing all the diffusion regimes, along with the exactly determined critical lines. The model, known as the Alzheimer walk, is endowed with memory-controlled diffusion, responsible for the model's long-range correlations, and is characterized by a rich variety of diffusive regimes. The importance of this model is that superdiffusion arises due not to memory per se, but rather also due to loss of memory. The recently reported numerically and analytically estimated values for the Hurst exponent are hereby reviewed. We report the finding of two, previously overlooked, phases, namely, evanescent log-periodic diffusion and log-periodic diffusion with escape, both with Hurst exponent H = 1/2. In the former, the log-periodicity gets damped, whereas in the latter the first moment diverges. These phases further enrich the already intricate phase diagram. The results are discussed in the context of phase transitions, aging phenomena, and symmetry breaking.

First-principles studies of complex magnetism in Mn nanostructures on the Fe(001) surface

The magnetic properties of Mn nanostructures on the Fe(001) surface have been studied using the noncollinear first-principles real space-linear muffin-tin orbital-atomic sphere approximation method within density-functional theory. We have considered a variety of nanostructures such as adsorbed wires, pyramids, and flat and intermixed clusters of sizes varying from two to nine atoms. Our calculations of interatomic exchange interactions reveal the long-range nature of exchange interactions between Mn-Mn and Mn-Fe atoms. We have found that the strong dependence of these interactions on the local environment, the magnetic frustration, and the effect of spin-orbit coupling lead to the possibility of realizing complex noncollinear magnetic structures such as helical spin spiral and half-skyrmion.

A new Pennsylvanian Oriocrassatellinae from Brazil and the distribution of the genus Oriocrassatella in space and time

Oriocrassatella Etheridge Jr., 1907 is a long range crassatellid bivalve genus well recognized in shallow waters of epeiric seas throughout the upper part of Paleozoic. The first occurrences of this genus are recorded in the sedimentary successions of the Gondwana, both in Australia and South America. However, the geographic and age distribution of Oriocrassatella in Late Mississippian deposits of Australia and Argentina may indicate an earliest Visean or even a pre-Visean origin for the genus. Following its origin in Early Carboniferous a complex paleobiogeographic history from Southern to Northern Hemisphere took place in the Permian. During its initial dispersal phase from Late Carboniferous to the Early Permian the genus thrived in cold water environments associated to the Late Paleozoic Gondwana glaciation. Shallow-water bottoms of the warm waters of the central Gondwana fringe and Laurussia were colonized by Oriocrassatella only during Early Permian times when the genus became cosmopolitan. A new species of this genus is described herein, Oriocrassatella piauiensis n. sp., recorded from the Piaui Formation, Pennsylvanian of the Parnaiba Basin. This new species may represent an early adaptation to warm waters. However, based on available data, species of this genus seem to have adapted definitely to warm water environments probably related the Late Pennsylvanian interglacial phases. In these phases, climatic barrier were interrupted allowing the faunal interchange and larval dispersion following a South to North migration route through the eastern margins of Gondwana and the eastern Paleotethys.

STRUCTURE AND DYNAMICS: THE TRANSITION FROM NONEQUILIBRIUM TO EQUILIBRIUM IN INTEGRATE-AND-FIRE DYNAMICS

The transient and equilibrium properties of dynamics unfolding in complex systems can depend critically on specific topological features of the underlying interconnections. In this work, we investigate such a relationship with respect to the integrate-and-fire dynamics emanating from a source node and an extended network model that allows control of the small-world feature as well as the length of the long-range connections. A systematic approach to investigate the local and global correlations between structural and dynamical features of the networks was adopted that involved extensive simulations (one and a half million cases) so as to obtain two-dimensional correlation maps. Smooth, but diverse surfaces of correlation values were obtained in all cases. Regarding the global cases, it has been verified that the onset avalanche time (but not its intensity) can be accurately predicted from the structural features within specific regions of the map (i.e. networks with specific structural properties). The analysis at local level revealed that the dynamical features before the avalanches can also be accurately predicted from structural features. This is not possible for the dynamical features after the avalanches take place. This is so because the overall topology of the network predominates over the local topology around the source at the stationary state.

The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution

Solvent effects on the one- and two-photon absorption (IPA and 2PA) of disperse orange 3 (DO3) in dimethyl sulfoxide (DMSO) are studied using a discrete polarizable embedding (PE) response theory. The scheme comprises a quantum region containing the chromophore and an atomically granulated classical region for the solvent accounting for full interactions within and between the two regions. Either classical molecular dynamics (MD) or hybrid Car-Parrinello (CP) quantum/classical (QM/MM) molecular dynamics simulations are employed to describe the solvation of DO3 in DMSO, allowing for an analysis of the effect of the intermolecular short-range repulsion, long-range attraction, and electrostatic interactions on the conformational changes of the chromophore and also the effect of the solute-solvent polarization. PE linear response calculations are performed to verify the character, solvatochromic shift, and overlap of the two lowest energy transitions responsible for the linear absorption spectrum of DO3 in DMSO in the visible spectral region. Results of the PE linear and quadratic response calculations, performed using uncorrelated solute-solvent configurations sampled from either the classical or hybrid CP QM/MM MD simulations, are used to estimate the width of the line shape function of the two electronic lowest energy excited states, which allow a prediction of the 2PA cross-sections without the use of empirical parameters. Appropriate exchange-correlation functionals have been employed in order to describe the charge-transfer process following the electronic transitions of the chromophore in solution.