Estudo das propriedades críticas do processo de contato por par para diferentes atualizações

We study the critical behavior of the one-dimensional pair contact process (PCP), using the Monte Carlo method for several lattice sizes and three different updating: random, sequential and parallel. We also added a small modification to the model, called Monte Carlo com Ressucitamento" (MCR), which consists of resuscitating one particle when the order parameter goes to zero. This was done because it is difficult to accurately determine the critical point of the model, since the order parameter(particle pair density) rapidly goes to zero using the traditional approach. With the MCR, the order parameter becomes null in a softer way, allowing us to use finite-size scaling to determine the critical point and the critical exponents β, ν and z. Our results are consistent with the ones already found in literature for this model, showing that not only the process of resuscitating one particle does not change the critical behavior of the system, it also makes it easier to determine the critical point and critical exponents of the model. This extension to the Monte Carlo method has already been used in other contact process models, leading us to believe its usefulness to study several others non-equilibrium models

Propriedades ópticas de nanocristais de SiGe: efeitos de dopagem e desordem

We have used ab initio calculations to investigate the electronic structure of SiGe based nanocrystals (NC s). This work is divided in three parts. In the first one, we focus the excitonic properties of Si(core)/Ge(shell) and Ge(core)/Si(shell) nanocrystals. We also estimate the changes induced by the effect of strain the electronic structure. We show that Ge/Si (Si/Ge) NC s exhibits type II confinement in the conduction (valence) band. The estimated potential barriers for electrons and holes are 0.16 eV (0.34 eV) and 0.64 eV (0.62 eV) for Si/Ge (Ge/Si) NC s. In contradiction to the expected long recombination lifetimes in type II systems, we found that the recombination lifetime of Ge/Si NC s (τR = 13.39μs) is more than one order of magnitude faster than in Si/Ge NC s (τR = 191.84μs). In the second part, we investigate alloyed Si1−xGex NC s in which Ge atoms are randomly positioned. We show that the optical gaps and electron-hole binding energies decrease linearly with x, while the exciton exchange energy increases with x due to the increase of the spatial extent of the electron and hole wave functions. This also increases the electron-hole wave functions overlap, leading to recombination lifetimes that are very sensitive to the Ge content. Finally, we investigate the radiative transitions in Pand B-doped Si nanocrystals. Our NC sizes range between 1.4 and 1.8 nm of diameters. Using a three-levels model, we show that the radiative lifetimes and oscillator strengths of the transitions between the conduction and the impurity bands, as well as the transitions between the impurity and the valence bands are strongly affected by the impurity position. On the other hand, the direct conduction-to-valence band decay is practically unchanged due to the presence of the impurity

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

Conexão entre as redes complexas e estatística de Kaniadakis e busca eficiente das propriedades críticas do processo epidêmico difusivo 1D

In this work we study a connection between a non-Gaussian statistics, the Kaniadakis statistics, and Complex Networks. We show that the degree distribution P(k)of a scale free-network, can be calculated using a maximization of information entropy in the context of non-gaussian statistics. As an example, a numerical analysis based on the preferential attachment growth model is discussed, as well as a numerical behavior of the Kaniadakis and Tsallis degree distribution is compared. We also analyze the diffusive epidemic process (DEP) on a regular lattice one-dimensional. The model is composed of A (healthy) and B (sick) species that independently diffusive on lattice with diffusion rates DA and DB for which the probabilistic dynamical rule A + B → 2B and B → A. This model belongs to the category of non-equilibrium systems with an absorbing state and a phase transition between active an inactive states. We investigate the critical behavior of the DEP using an auto-adaptive algorithm to find critical points: the method of automatic searching for critical points (MASCP). We compare our results with the literature and we find that the MASCP successfully finds the critical exponents 1/ѵ and 1/zѵ in all the cases DA =DB, DA DB. The simulations show that the DEP has the same critical exponents as are expected from field-theoretical arguments. Moreover, we find that, contrary to a renormalization group prediction, the system does not show a discontinuous phase transition in the regime o DA >DB.

Propriedades críticas do modelo z(4) em sistemas bi e tridimensionais

A real space renormalization group method is used to investigate the criticality (phase diagrams, critical expoentes and universality classes) of Z(4) model in two and three dimensions. The values of the interaction parameters are chosen in such a way as to cover the complete phase diagrams of the model, which presents the following phases: (i) Paramagnetic (P); (ii) Ferromagnetic (F); (iii) Antiferromagnetic (AF); (iv) Intermediate Ferromagnetic (IF) and Intermediate Antiferromagnetic (IAF). In the hierarquical lattices, generated by renormalization the phase diagrams are exact. It is also possible to obtain approximated results for square and simple cubic lattices. In the bidimensional case a self-dual lattice is used and the resulting phase diagram reproduces all the exact results known for the square lattice. The Migdal-Kadanoff transformation is applied to the three dimensional case and the additional phases previously suggested by Ditzian et al, are not found

Danos e propriedades termodinâmicas no modelo de Ashkin-Teller de n cores

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Espectro de polariton de plasmons e propriedades ópitcas de super-redes tipo cantor

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Estudo de propriedades elétricas em compostos de Bario

Este trabalho tem como objetivo estudar a influência da adição de diversos aditivos tais como óxido de silício (SiO2), óxido de bismuto (BiO2), óxido de cério (CeO2) e óxido de lantânio (La2O3) nas propriedades elétricas e dielétricas do titanato de bário (BaTiO3) policristalino. As amostras de titanato de bário foram compactadas e sinterizadas no Laboratório de Tecnologia dos Pós, do Departamento de Física da Universidade Federal do Rio Grande do Norte. Foram realizadas medidas de resistividade elétrica e constante dielétrica em função da temperatura, bem como ensaios de difração de raios-X e análise microestrutural através da microscopia eletrônica de varredura. A análise dos resultados permitiu avaliar a influência dos aditivos nas propriedades elétricas e dielétricas, e propor a utilização de cerâmicas eletrônicas a base de titanato de bário com propriedades superiores as do material existente atualmente

Estudo de propriedades críticas em sistemas complexos: método de procura automática em sistemas tipo Ising e percolação de longo alcance

The new technique for automatic search of the order parameters and critical properties is applied to several well-know physical systems, testing the efficiency of such a procedure, in order to apply it for complex systems in general. The automatic-search method is combined with Monte Carlo simulations, which makes use of a given dynamical rule for the time evolution of the system. In the problems inves¬tigated, the Metropolis and Glauber dynamics produced essentially equivalent results. We present a brief introduction to critical phenomena and phase transitions. We describe the automatic-search method and discuss some previous works, where the method has been applied successfully. We apply the method for the ferromagnetic fsing model, computing the critical fron¬tiers and the magnetization exponent (3 for several geometric lattices. We also apply the method for the site-diluted ferromagnetic Ising model on a square lattice, computing its critical frontier, as well as the magnetization exponent f3 and the susceptibility exponent 7. We verify that the universality class of the system remains unchanged when the site dilution is introduced. We study the problem of long-range bond percolation in a diluted linear chain and discuss the non-extensivity questions inherent to long-range-interaction systems. Finally we present our conclusions and possible extensions of this work

Espectro das ondas de spin lineares e não-lineares em multicamadas magnéticas anisotrópicas

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Propagação de danos: importância da atualização dinâmica, efeitos da diluição e propriedades termodinâmicas

Neste trabalho investigamos aspectos da propagação de danos em sistemas cooperativos, descritos por modelos de variáveis discretas (spins), mutuamente interagentes, distribuídas nos sítios de uma rede regular. Os seguintes casos foram examinados: (i) A influência do tipo de atualização (paralela ou sequencial) das configurações microscópicas, durante o processo de simulação computacional de Monte Carlo, no modelo de Ising em uma rede triangular. Observamos que a atualização sequencial produz uma transição de fase dinâmica (Caótica- Congelada) a uma temperatura TD ≈TC (Temperatura de Curie), para acoplamentos ferromagnéticos (TC=3.6409J/Kb) e antiferromagnéticos (TC=0). A atualização paralela, que neste caso é incapaz de diferenciar os dois tipos de acoplamentos, leva a uma transição em TD ≠TC; (ii) Um estudo do modelo de Ising na rede quadrada, com diluição temperada de sítios, mostrou que a técnica de propagação de danos é um eficiente método para o cálculo da fronteira crítica e da dimensão fractal do aglomerado percolante, já que os resultados obtidos (apesar de um esforço computacional relativamente modesto), são comparáveis àqueles resultantes da aplicação de outros métodos analíticos e/ou computacionais de alto empenho; (iii) Finalmente, apresentamos resultados analíticos que mostram como certas combinações especiais de danos podem ser utilizadas para o cálculo de grandezas termodinâmicas (parâmetros de ordem, funções de correlação e susceptibilidades) do modelo Nα x Nβ, o qual contém como casos particulares alguns dos modelos mais estudados em Mecânica Estatística (Ising, Potts, Ashkin Teller e Cúbico)

Análises estatísticas em redes complexas: propriedades topológicas, críticas e dinâmicas

In this thesis, we address two issues of broad conceptual and practical relevance in the study of complex networks. The first is associated with the topological characterization of networks while the second relates to dynamical processes that occur on top of them. Regarding the first line of study, we initially designed a model for networks growth where preferential attachment includes: (i) connectivity and (ii) homophily (links between sites with similar characteristics are more likely). From this, we observe that the competition between these two aspects leads to a heterogeneous pattern of connections with the topological properties of the network showing quite interesting results. In particular, we emphasize that there is a region where the characteristics of sites play an important role not only for the rate at which they get links, but also for the number of connections which occur between sites with similar and dissimilar characteristics. Finally, we investigate the spread of epidemics on the network topology developed, whereas its dissemination follows the rules of the contact process. Using Monte Carlo simulations, we show that the competition between states (infected/healthy) sites, induces a transition between an active phase (presence of sick) and an inactive (no sick). In this context, we estimate the critical point of the transition phase through the cumulant Binder and ratio between moments of the order parameter. Then, using finite size scaling analysis, we determine the critical exponents associated with this transition

Efeitos de interface em bicamadas magnéticas

We study magnetic interface roughness in F/AF bilayers. Two kinds of roughness were considered. The first one consists of isolated defects that divide the substrate in two regions, each one with an AF sub-lattice. The interface exchange coupling is considered uniform and presents a sudden change in the defects line, favoring Neel wall nucleation. Our results show the interface field dependence of the threshold thickness for the reorientation of the magnetization in the ferromagnetic film. Angular profiles show the relaxation of the magnetization, from Neel wall, at the interface, to reoriented state, at the surface. External magnetic field, perpendicular to the easy axis of the substrate, favors the reoriented state. Depending, of the external magnetic field intensity, parallel to the easy axis of the AF, the magnetization profile at surface can be parallel or perpendicular to the field direction. The second one treats of distributed deffects, periodically. The shape hysteresis curves, exchange bias and coercivity were characterized by interface field intensity and roughness pattern. Our results show that dipolar effects decrease the exchange bias and coercivity

Ondas de spin em quasi-cristais magnônicos

In this paper we investigate the spectra of band structures and transmittance in magnonic quasicrystals that exhibit the so-called deterministic disorders, specifically, magnetic multilayer systems, which are built obeying to the generalized Fibonacci (only golden mean (GM), silver mean (SM), bronze mean (BM), copper mean (CM) and nickel mean (NM) cases) and k-component Fibonacci substitutional sequences. The theoretical model is based on the Heisenberg Hamiltonian in the exchange regime, together with the powerful transfer matrix method, and taking into account the RPA approximation. The magnetic materials considered are simple cubic ferromagnets. Our main interest in this study is to investigate the effects of quasiperiodicity on the physical properties of the systems mentioned by analyzing the behavior of spin wave propagation through the dispersion and transmission spectra of these structures. Among of these results we detach: (i) the fragmentation of the bulk bands, which in the limit of high generations, become a Cantor set, and the presence of the mig-gap frequency in the spin waves transmission, for generalized Fibonacci sequence, and (ii) the strong dependence of the magnonic band gap with respect to the parameters k, which determines the amount of different magnetic materials are present in quasicrystal, and n, which is the generation number of the sequence k-component Fibonacci. In this last case, we have verified that the system presents a magnonic band gap, whose width and frequency region can be controlled by varying k and n. In the exchange regime, the spin waves propagate with frequency of the order of a few tens of terahertz (THz). Therefore, from a experimental and technological point of view, the magnonic quasicrystals can be used as carriers or processors of informations, and the magnon (the quantum spin wave) is responsible for this transport and processing

Propriedades críticas de sistemas fora do equilíbrio via simulação Monte Carlo

Conselho Nacional de Desenvolvimento Científico e Tecnológico