Propriedades física de molécilas orgânicas e compostos do tipo perovskita CdSiO3 e CaPbO3

In the first part of this work our concern was to investigate the thermal effects in organic crystals using the theory of the polarons. To analyse such effect, we used the Fröhlich s Hamiltonian, that describes the dynamics of the polarons, using a treatment based on the quantum mechanics, to elucidate the electron-phonon interaction. Many are the forms to analyzing the polaronic phenomenon. However, the measure of the dielectric function can supply important information about the small polarons hopping process. Besides, the dielectric function measures the answer to an applied external electric field, and it is an important tool for the understanding of the many-body effects in the normal state of a polaronic system. We calculate the dielectric function and its dependence on temperature using the Hartree-Fock decoupling method. The dieletric function s dependence on the temperature is depicted by through a 3D graph. We also analyzed the so called Arrhenius resistivity, as a functionof the temperature, which is an important tool to characterize the conductivity of an organic molecule. In the second part we analyzed two perovskita type crystalline oxides, namely the cadmium silicate triclinic (CdSiO3) and the calcium plumbate orthorhombic (CaPbO3), respectively. These materials are normally denominated ABO3 and they have been especially investigated for displaying ferroelectric, piezoelectric, dielectrics, semiconductors and superconductors properties. We found our results through ab initio method within the functional density theory (DFT) in the GGA-PBE and LDA-CAPZ approximations. After the geometry optimization for the two structure using the in two approximations, we found the structure parameters and compared them with the experimental data. We still determined further the angles of connection for the two analyzed cases. Soon after the convergence of the energy, we determined their band structures, fundamental information to characterize the nature of the material, as well as their dielectrics functions, optical absorption, partial density of states and effective masses of electrons and holes

Modelo de ashkin-teller de três cores na rede ponte de wheatstone

In this work we study the phase transitions of the ferromagnetic three-color Ashkin-Teller Model in the hierarquical lattice generated by the Wheatstone bridge using real space renormalization group approach. With such technique we obtain the phase diagram and its critical points with respective critical exponents v. This model presents four phases: ferromagnetic, paramagnetic and two intermediates. Nine critical points were found, three of which are of Ising model type, three are of four states Potts model type, one is of eight states Potts model type and the last two which do not correspond to any Potts model with integer number of states. iv

Formação de caudas maxwellianas no Contexto da rotação estelar

In this Thesis, we analyzed the formation of maxwellian tails of the distributions of the rotational velocity in the context of the out of equilibrium Boltzmann Gibbs statistical mechanics. We start from a unified model for the angular momentum loss rate which made possible the construction of a general theory for the rotational decay in the which, finally, through the compilation between standard Maxwellian and the relation of rotational decay, we defined the (_, _) Maxwellian distributions. The results reveal that the out of equilibrium Boltzmann Gibbs statistics supplies us results as good as the one of the Tsallis and Kaniadakis generalized statistics, besides allowing fittings controlled by physical properties extracted of the own theory of stellar rotation. In addition, our results point out that these generalized statistics converge to the one of Boltzmann Gibbs when we inserted, in your respective functions of distributions, a rotational velocity defined as a distribution

Implementação da técnica de difração de elétrons de baixa energia

The purpose of this study is to describe the implementation of the Low Energy Electron Diffaction (LEED) technique in the Laboratory of Magnetic Nanostructures and Semiconductors of the Department of Theoretical and Experimental Physics of the Universidade Federal do Rio Grande do Norte (UFRN), Natal, Brazil. During this work experimental apparatus were implemented for a complete LEED set-up. A new vacuum system was also set up. This was composed of a mechanical pump, turbomolecular pump and ionic pump for ultra-high vacuum and their respective pressure measurement sensors (Pirani gauge for low vacuum measures and the wide range gauge -WRG); ion cannon maintenance, which is basically mini-sputtering, whose function is sample cleaning; and set-up, maintenance and handling of the quadrupole mass spectrometer, whose main purpose is to investigate gas contamination inside the ultra-high vacuum chamber. It should be pointed out that the main contribution of this Master's thesis was the set-up of the sample heating system; that is, a new sample holder. In addition to the function of sample holder and heater, it was necessary to implement the function of sustaining the ultra-high vacuum environment. This set of actions is essential for the complete functioning of the LEED technique

Aninhamento em redes bipartidas

We present a nestedness index that measures the nestedness pattern of bipartite networks, a problem that arises in theoretical ecology. Our measure is derived using the sum of distances of the occupied elements in the adjacency matrix of the network. This index quantifies directly the deviation of a given matrix from the nested pattern. In the most simple case the distance of the matrix element ai,j is di,j = i+j, the Manhattan distance. A generic distance is obtained as di,j = (i¬ + j¬)1/¬. The nestedness índex is defined by = 1 − where is the temperature of the matrix. We construct the temperature index using two benchmarks: the distance of the complete nested matrix that corresponds to zero temperature and the distance of the average random matrix that is defined as temperature one. We discuss an important feature of the problem: matrix occupancy. We address this question using a metric index ¬ that adjusts for matrix occupancy

Análise das curvas de luz do CoroT usando diferentes processos comparativos: estimando períodos de rotação estelar

One of the main goals of CoRoT Natal Team is the determination of rotation period for thousand of stars, a fundamental parameter for the study of stellar evolutionary histories. In order to estimate the rotation period of stars and to understand the associated uncertainties resulting, for example, from discontinuities in the curves and (or) low signal-to-noise ratio, we have compared three different methods for light curves treatment. These methods were applied to many light curves with different characteristics. First, a Visual Analysis was undertaken for each light curve, giving a general perspective on the different phenomena reflected in the curves. The results obtained by this method regarding the rotation period of the star, the presence of spots, or the star nature (binary system or other) were then compared with those obtained by two accurate methods: the CLEANest method, based on the DCDFT (Date Compensated Discrete Fourier Transform), and the Wavelet method, based on the Wavelet Transform. Our results show that all three methods have similar levels of accuracy and can complement each other. Nevertheless, the Wavelet method gives more information about the star, from the wavelet map, showing the variations of frequencies over time in the signal. Finally, we discuss the limitations of these methods, the efficiency to give us informations about the star and the development of tools to integrate different methods into a single analysis

Evolução de Rádio Fontes Duplas Extragalácticas

Double radio sources have been studied since the discovery of extragalactic radio sources in the decade of 1930. Since then, several numerical studies and analytical models have been proposed seeking a better understanding of the physical phenomena that determines the origin and evolution of such objects. In this thesis, we intended to study the evolution problem of the double radio sources in two fronts: in the ¯rst we have developed an analytical self-similar model that represents a generalization of most models found in the literature and solve some existent problems related to the jet head evolution. We deal with this problem using samples of hot spot sizes to ¯nd a power law relation between the jet head dimension and the source length. Using our model, we were able to draw the evolution curves of the double sources in a PD diagram for both compact sources (GPS and CSS) and extended sources of the 3CR catalogue. We have alson developed a computation tool that allows us to generate synthetic radio maps of the double sources. The objective is to determine the principal physical parameters of those objects by comparing synthetic and observed radio maps. In the second front, we used numeric simulations to study the interaction of the extra- galactic jets with the environment. We simulated situations where the jet propagates in a medium with high density contrast gas clouds capable to block the jet forward motion, forming the distorted structures observed in the morphology of real sources. We have also analyzed the situation in which the jet changes its propagation direction due to a change of the source main axis, creating the X-shaped sources. The comparison between our simulations and the real double radio sources, enable us to determine the values of the main physical parameters responsible for the distortions observed in those objects

Deposição de A/N por sputtering não reativo

In this work we deposit via non-reactive magnetron sputtering of radio-frequency nanofilmes of nitreto of aluminum(AlN). The nanofilms aluminum nitride are semiconductors materials with high thermal conductivity, high melting point, piezoelectricity and wide band gap (6, 2 eV) with hexagonal wurtzite crystal structure, belonging to the group of new materials called III-V nitrides in which together with the gallium nitride and indium nitride have attracted much interest because they have physical and chemical properties relevant to new technological applications, mainly in microelectronic and optoelectronic devices. Three groups were deposited with thicknesses nanofilms time dependent on two substrates (glass and silicon) at a temperature of 25 ° C. The nanofilms AlN were characterized using three techniques, X-ray diffraction, Raman spectroscopy and atomic force microscopy (AFM), examined the morphology of these. Through the analysis of X-rays get the thickness of each sample with its corresponding deposition rate. The analysis of X-rays also revealed that nanofilms are not crystalline, showing the amorphous character of the samples. The results obtained by the technique, atomic force microscopy (AFM) agree with those obtained using the technique of X-rays. Characterization by Raman spectroscopy revealed the existence of active modes characteristic of AlN in the samples

Parâmetros físico-químicos de estrelas nos campos de exoplanetas do satélite corot

A rotação estelar é um dos mais importantes observáveis da evolução estelar. Neste sentido, o satélite CoRoT representa uma oportunidade única de medir os períodos rotacionais para uma amostra de estrelas estatisticamente robusta, oferecendo dados absolutamente necessários para o estudo da rotação e seu papel na evolução estelar. Para conseguir isto, um passo fundamental é a caracterização física e química das estrelas observadas pelo CoRoT, especificamente devido ao fato de que o cálculo de períodos rotacionais confiáveis é um trabalho difícil sem a ajuda dos parâmetros estelares. Desta forma, foi elaborado um importante seguimento observacional das estrelas nos campos do CoRoT do anticentro LRa01 e do centro LRc01, permitindo a correta identificação dos períodos que reflitam a modulação rotacional. Nesta tese de doutorado são apresentados os resultados de tal seguimento. Parâmetros físicos e químicos, tais como temperatura efetiva Teff , gravidade superficial log(g), velocidade de microturbulência Vmic, abundância de ferro [Fe/H], velocidade de rotação projetada Vsin(i), e abundância de lítio A(Li) são apresentados para uma amostra de 116 estrelas dos campos CoRoT. Elas se encontram em diferentes estágios evolutivos, desde a sequência principal (SP) até o ramo das gigantes vermelhas (GV). As observações foram feitas utilizando os espectrógrafos UVES (VLT) e HYDRA (CTIO). Para a derivação de tais parâmetros foram utilizados o programa TurboSpectrum e os modelos de atmosfera de MARCS. Paralelamente, velocidades rotacionais Vsin(i) foram obtidas a partir do ajuste dos perfis observados e sintéticos das linhas de ferro e por meio de uma calibração de função de correlação cruzada (CCF). Períodos rotacionais Prot para 77 estrelas da amostra foram obtidos a partir das curvas de luz do satélite CoRoT. Extensas tabelas destes parâmetros e seus respectivos erros são apresentadas. Foram encontradas diferenças nas distribuições de Teff , [Fe/H] e estágios evolutivos entre os diferentes campos do CoRoT, indicando possíveis efeitos de seleção na amostra, assim como a existência de diferentes populações estelares do disco Galáctico. Por outro lado, o comportamento rotacional e as abundâncias de lítio não apresentam diferenças entre estrelas de parâmetros físicos similares, mas que pertencem a diferentes campos do CoRoT. A partir da análise de temperaturas, foi encontrada uma maior extinção por avermelhamento para estrelas do CoRoT localizadas no campo LRc01, assim como um gradiente deste valor em função da distância. Os resultados mostram que as abundâncias de lítio, as velocidades de rotação e os períodos rotacionais apresentam o mesmo comportamento descrito na literatura. Por outro lado, é apresentada pela primeira vez a relação que existe entre o lítio e o período de rotação em diferentes estágios evolutivos, mostrando, tal como era esperado, que ambas as grandezas possuem uma anticorrelação. Também é apresentada a evolução simultânea da rotação e do lítio, e foram calculadas relações que permitem obter valores médios de A(Li) como função da temperatura efetiva e do período rotacional. Os dados apresentados nesta tese de doutorado representam um importante ponto de partida para serem utilizados como uma amostra de calibração para diferentes programas no contexto da missão do satélite CoRoT, uma vez que a lista de estrelas aqui analisadas são parte das mais brilhantes que compõem o campo Exo do CoRoT

Formação estelar desencadeada pela colisão entre nuvens moleculares magnetizadas

We use a finite diference eulerian numerical code, called ZEUS 3D, to do simulations involving the collision between two magnetized molecular clouds, aiming to evaluate the rate of star formation triggered by the collision and to analyse how that rate varies depending on the relative orientations between the cloud magnetic fields before the shock. The ZEUS 3D code is not an easy code to handle. We had to create two subroutines, one to study the cloud-cloud collision and the other for the data output. ZEUS is a modular code. Its hierarchical way of working is explained as well as the way our subroutines work. We adopt two sets of different initial values for density, temperature and magnetic field of the clouds and of the external medium in order to study the collision between two molecular clouds. For each set, we analyse in detail six cases with different directions and orientations of the cloud magnetic field relative to direction of motion of the clouds. The analysis of these twelve cases allowed us to conform analytical-theoretical proposals found in the literature, and to obtain several original results. Previous works indicate that, if the cloud magnetic fields before the collision are orthogonal to the direction of motion, then a strong inhibition of star formation will occur during a cloud-cloud shock, whereas if those magnetic fields are parallel to the direction of motion, star formation will be stimulated. Our treatment of the problem confirmed numerically those results, and further allowed us to quantify the relative star forming efficiencies in each case. Moreover, we propose and analyse an intermediate case where the field of one of the clouds is orthogonal to the motion and the field of the other one is parallel to the motion. We conclude that, in this case, the rate at which the star formation occurs has a value also intermediate between the two extreme cases we mentioned above. Besides that we study the case in which the fields are orthogonal to the direction of the motion but, instead of being parallel to each other, they are anti-parallel, and we obtained for this case the corresponding variation of the star formation rate due to this alteration of the field configuration. This last case has not been studied in the literature before. Our study allows us to obtain, from the simulations, the rate of star formation in each case, as well as the temporal dependence of that rate as each collision evolves, what we do in detail for one of the cases in particular. The values we obtain for the rate of star formation are in accordance with those expected from the presently existing observational data

Multicamadas Ferromagnéticas Nanométricas Periódicas e Quasiperiódicas

We present a study of nanostructured magnetic multilayer systems in order to syn- thesize and analyze the properties of periodic and quasiperiodic structures. This work evolved from the deployment and improvement of the sputtering technique in our labora- tories, through development of a methodology to synthesize single crystal ultrathin Fe (100) films, to the final goal of growing periodic and quasiperiodic Fe/Cr multilayers and investi- gating bilinear and biquadratic exchange coupling between ferromagnetic layer dependence for each generation. Initially we systematically studied the related effects between deposition parameters and the magnetic properties of ultrathin Fe films, grown by DC magnetron sput- tering on MgO(100) substrates. We modified deposition temperature and film thickness, in order to improve production and reproduction of nanostructured monocrystalline Fe films. For this set of samples we measured MOKE, FMR, AFM and XPS, with the aim of investi- gating their magnocrystalline and structural properties. From the magnetic viewpoint, the MOKE and FMR results showed an increase in magnetocrystalline anisotropy due to in- creased temperature. AFM measurements provided information about thickness and surface roughness, whereas XPS results were used to analyze film purity. The best set of parame- ters was used in the next stage: investigation of the structural effect on magnetic multilayer properties. In this stage multilayers composed of interspersed Fe and Cr films are deposited, following the Fibonacci periodic and quasiperiodic growth sequence on MgO (100) substrates. The behavior of MOKE and FMR curves exhibit bilinear and biquadratic exchange coupling between the ferromagnetic layers. By computationally adjusting magnetization curves, it was possible to determine the nature and intensity of the interaction between adjacent Fe layers. After finding the global minimum of magnetic energy, we used the equilibrium an- gles to obtain magnetization and magnetoresistance curves. The results observed over the course of this study demonstrate the efficiency and versatility of the sputtering technique in the synthesis of ultrathin films and high-quality multilayers. This allows the deposition of magnetic nanostructures with well-defined magnetization and magnetoresistance parameters and possible technological applications

Processos de aquecimento na alta atmosfera estelar: emissão coronal em raio-x e emissão cromosférica em CaII

In the present work we study the processes of heating in the high stellar atmosphere, with base in an analysis of behavior of the cromospheric and coronal emission for a sample of single stars classified as giant in the literature. The evolutionary status of the stars of the sample was determined from HIPPARCOS satellite trigonometric parallax measurements and from the Toulouse Genéve code. In this study we show the form of behavior of the CaII emission flux in spectral lines H and K F(CaII) and the X-ray emission flux in function of the rotation, number of Rossby Ro and depth in mass of the convective envelope. In this analysis we show that while the cromospheric activity is dominated clearly by a physical process of heating associated with the rotation, like a magnetic field produced by dynamo effect, the coronal activity seems to be influenced for a mechanism independent of the rotation. We show also that the effective role of the depth in massa of the convective envelope on the stellar activity has an important effect in the responsible physical process for the behavior of the activity in the atmosphere of the stars.

Filmes nanométricos de FeN e ALN crescidos por sputtering e aplicações do efeito peltier

This study will show the capability of the reactive/nonreactive sputtering (dc/rf) technique at low power for the growth of nanometric thin films from magnetic materials (FeN) and widegap semiconductors (AlN), as well as the technological application of the Peltier effect using commercial modules of bismuth telluride (Bi2Te3). Of great technological interest to the high-density magnetic recording industry, the FeN system represents one of the most important magnetic achievements; however, diversity of the phases formed makes it difficult to control its magnetic properties during production of devices. We investigated the variation in these properties using ferromagnetic resonance, MOKE and atomic force microscopy (AFM), as a function of nitrogen concentration in the reactive gas mixture. Aluminum nitride, a component of widegap semiconductors and of considerable interest to the electronic and optoelectronic industry, was grown on nanometric thin film for the first time, with good structural quality by non-reactive rf sputtering of a pure AlN target at low power (≈ 50W). Another finding in this study is that a long deposition time for this material may lead to film contamination by materials adsorbed into deposition chamber walls. Energy-dispersive X-ray (EDX) analysis shows that the presence of magnetic contaminants from previous depositions results in grown AlN semiconductor films exhibiting magnetoresistance with high resistivity. The Peltier effect applied to commercially available compact refrigeration cells, which are efficient for cooling small volumes, was used to manufacture a technologically innovative refrigerated mini wine cooler, for which a patent was duly registered

A evolução da rotação estelar na vizinhança solar

Different studies point for an rotation age link following a α tα relationship. The value of the α -parameter has a strong role on the evolutionary behaviour of rotation, because it indicates how strong is the spindown once stars evolve. The well known Skumanich s relation α t −1/2, which is consistent with simple theories of angular momentum loss from rotating stars with magnetic fields and winds, is one of the best accepted. Nevertheless, several studies show clearly that such a relation cannot hold for stars much younger or much older than the Pleiades (100 Mega years) without leading to velocities much greater or much lower than those presently observed. The present study aims at improving this picture on the basis of an enlarged analyses taking into account the role of mass and metallicity on the rotation age relation, based on an unprecedented sample of about 14 000 stars in the solar neighbourhood. From this new approach we show that the α parameter it depends strongly on the stellar age and, by consequence, on the metallicity. In addition, one observes a strong dependence of the referred parameter on the single or binary status of the stars

Fases magnéticas de sistemas nanoestruturados de terras-raras

There is presently a worldwide interest in artificial magnetic systems which guide research activities in universities and companies. Thin films and multilayers have a central role, revealing new magnetic phases which often lead to breakthroughs and new technology standards, never thought otherwise. Surface and confinement effects cause large impact in the magnetic phases of magnetic materials with bulk spatially periodic patterns. New magnetic phases are expected to form in thin film thicknesses comparable to the length of the intrinsic bulk magnetic unit cell. Helimagnetic materials are prototypes in this respect, since the bulk magnetic phases consist in periodic patterns with the length of the helical pitch. In this thesis we study the magnetic phases of thin rare-earth films, with surfaces oriented along the (002) direction. The thesis includes the investigation of the magnetic phases of thin Dy and Ho films, as well as the thermal hysteresis cycles of Dy thin films. The investigation of the thermal hysteresis cycles of thin Dy films has been done in collaboration with the Laboratory of Magnetic Materials of the University of Texas, at Arlington. The theoretical modeling is based on a self-consistent theory developed by the Group of Magnetism of UFRN. Contributions from the first and second neighbors exchange energy, from the anisotropy energy and the Zeeman energy are calculated in a set of nonequivalent magnetic ions, and the equilibrium magnetic phases, from the Curie temperature up to the Nèel temperature, are determined in a self-consistent manner, resulting in a vanishing torque in the magnetic ions at all planes across the thin film. Our results reproduce the known isothermal and iso-field curves of bulk Dy and Ho, and the known spin-slip phases of Ho, and indicate that: (i) the confinement in thin films leads to a new magnetic phase, with alternate helicity, which leads to the measured thermal hysteresis of Dy ultrathin films, with thicknesses ranging from 4 nm to 16 nm; (ii) thin Dy films have anisotropy dominated surface lock-in phases, with alignment of surface spins along the anisotropy easy axis directions, similar to the known spin-slip phases of Ho ( which form in the bulk and are commensurate to the crystal lattice); and (iii) the confinement in thin films change considerably the spin-slip patterns of Ho.