System identification algorithms for the analysis of dielectric responses from broadband spectroscopies

We discuss the modeling of dielectric responses for an electromagnetically excited network of capacitors and resistors using a systems identification framework. Standard models that assume integral order dynamics are augmented to incorporate fractional order dynamics. This enables us to relate more faithfully the modeled responses to those reported in the Dielectrics literature.

Multivariate analysis of the dielectric response of materials modeled using networks of resistors and capacitors

We discuss the modeling of dielectric responses of electromagnetically excited networks which are composed of a mixture of capacitors and resistors. Such networks can be employed as lumped-parameter circuits to model the response of composite materials containing conductive and insulating grains. The dynamics of the excited network systems are studied using a state space model derived from a randomized incidence matrix. Time and frequency domain responses from synthetic data sets generated from state space models are analyzed for the purpose of estimating the fraction of capacitors in the network. Good results were obtained by using either the time-domain response to a pulse excitation or impedance data at selected frequencies. A chemometric framework based on a Successive Projections Algorithm (SPA) enables the construction of multiple linear regression (MLR) models which can efficiently determine the ratio of conductive to insulating components in composite material samples. The proposed method avoids restrictions commonly associated with Archie’s law, the application of percolation theory or Kohlrausch-Williams-Watts models and is applicable to experimental results generated by either time domain transient spectrometers or continuous-wave instruments. Furthermore, it is quite generic and applicable to tomography, acoustics as well as other spectroscopies such as nuclear magnetic resonance, electron paramagnetic resonance and, therefore, should be of general interest across the dielectrics community.

Wavelet based detection of changes in the composition of RLC networks

The current work discusses the compositional analysis of spectra that may be related to amorphous materials that lack discernible Lorentzian, Debye or Drude responses. We propose to model such response using a 3-dimensional random RLC network using a descriptor formulation which is converted into an input-output transfer function representation. A wavelet identification study of these networks is performed to infer the composition of the networks. It was concluded that wavelet filter banks enable a parsimonious representation of the dynamics in excited randomly connected RLC networks. Furthermore, chemometric classification using the proposed technique enables the discrimination of dielectric samples with different composition. The methodology is promising for the classification of amorphous dielectrics.

Solvent effects on the electronic absorption spectrum of camphor using continuum, discrete or explicit approaches

We address the effect of solvation on the lowest electronic excitation energy of camphor. The solvents considered represent a large variation in-solvent polarity. We consider three conceptually different ways of accounting for the solvent using either an implicit, a discrete or an explicit solvation model. The solvatochromic shifts in polar solvents are found to be in good agreement with the experimental data for all three solvent models. However, both the implicit and discrete solvation models are less successful in predicting solvatochromic shifts for solvents of low polarity. The results presented suggest the importance of using explicit solvent molecules in the case of nonpolar solvents. (C) 2009 Elsevier B.V. All rights reserved.

Filmes finos dielétricos para dispositivos microeletrônicos avançados

Apresentamos mecanismos de formação e de degradação térmica de filmes fi- nos (espessura da ordem de 10 nm) de diferentes dielétricos sobre substrato de silício monocristalino. Tendo em vista a aplicação dessas estruturas em MOSFETs (transistores de efeito de campo metal-óxido-semicondutor), estudamos o consagrado óxido de silício (SiO2), os atuais substitutos oxinitretos de silício (SiOxNy) e o possível substituto futuro óxido de alumínio (Al2O3). Nossos resultados experimentais baseiam-se em técnicas preparativas de substituição isotópica e de caracterização física com feixes de íons (análise com reações nucleares) ou raios- X (espectroscopia de fotoelétrons). Observamos que: (a) átomos de silício não apresentam difusão de longo alcance (além de ~ 2 nm) durante o crescimento de SiO2 por oxidação térmica do silício em O2; (b) nitretação hipertérmica é capaz de produzir filmes finos de oxinitreto de silício com até dez vezes mais nitrogênio que o resultante do processamento térmico usual, sendo que esse nitrogênio tende a se acumular na interface SiOxNy/Si; e (c) átomos de oxigênio, alumínio e silício migram e promovem reações químicas durante o recozimento térmico de estruturas Al2O3/SiO2/Si em presença de O2. Desenvolvemos um modelo de difusão-reação que poderá vir a permitir o estabelecimento de condições ótimas de processamento térmico para filmes finos de Al2O3 sobre silício a serem empregados na fabricação de MOSFETs.

Desenvolvimento de antenas de microfita com Patch em anel utilizando materiais ferrimagnéticos e metamateriais

In general, the materials used as substrates in the project of microstrip antennas are: isotropic, anisotropic dielectrics and ferrimagnetic materials (magnetic anisotropy). The use of ferrimagnetic materials as substrates in microstrip patch antennas has been concentrated on the analysis of antennas with circular and rectangular patches. However, a new class of materials, called metamaterials, has been currently the focus of a great deal of interest. These materials exhibit bianisotropic characteristics, with permittivity and permeability tensors. The main objective of this work is to develop a theoretical and numerical analysis for the radiation characteristics of annular ring microstrip antennas, using ferrites and metamaterials as substrates. The full wave analysis is performed in the Hankel transform domain through the application of the Hertz vector potentials. Considering the definition of the Hertz potentials and imposing the boundary conditions, the dyadic Green s function components are obtained relating the surface current density components at the plane of the patch to the electric field tangential components. Then, Galerkin s method is used to obtain a system of matrix equations, whose solution gives the antenna resonant frequency. From this modeling, it is possible to obtain numerical results for the resonant frequency, radiation pattern, return loss, and antenna bandwidth as a function of the annular ring physical parameters, for different configurations and substrates. The theoretical analysis was developed for annular ring microstrip antennas on a double ferrimagnetic/isotropic dielectric substrate or metamaterial/isotropic dielectric substrate. Also, the analysis for annular ring microstrip antennas on a single ferrimagnetic or metamaterial layer and for suspended antennas can be performed as particular cases

Análise de antenas utilizando substrato cerâmico, zpt, produzido por síntese auto propagante para aplicações em sistemas de micro-ondas

Ceramic substrates have been investigated by researchers around the world and has achieved a high interest in the scientific community, because they had high dielectric constants and excellent performance in the structures employed. Such ceramics result in miniaturized structures with dimensions well reduced and high radiation efficiency. In this work, we have used a new ceramic material called lead zinc titanate in the form of Zn0,8Pb0,2TiO3, capable of being used as a dielectric substrate in the construction of various structures of antennas. The method used in constructing the ceramic combustion synthesis was Self- Sustained High Temperature (SHS - "Self-Propagating High-Temperature Synthesis") which is defined as a process that uses highly exothermic reactions to produce various materials. Once initiated the reaction area in the reaction mixture, the heat generated is sufficient to become self-sustaining combustion in the form of a wave that propagates converting the reaction mixture into the product of interest. Were analyzed aspects of the formation of the composite Zn0,8Pb0,2TiO3 by SHS powders and characterized. The analysis consisted of determining the parameters of the reaction for the formation of the composite, as the ignition temperature and reaction mechanisms. The production of composite Zn0,8Pb0,2TiO3 by SHS performed in the laboratory, was the result of a total control of combustion temperature and after obtaining the powder began the development of ceramics. The product was obtained in the form of regular, alternating layers of porous ceramics and was obtained by uniaxial pressing. 10 The product was characterized by analysis of dilatometry, X-ray diffraction analysis and scanning electron microscopy. One of the contributions typically defined in this work is the development of a new dielectric material, nevertheless presented previously in the literature. Therefore, the structures of the antennas presented in this work consisted of new dielectric ceramics based Zn0,8Pb0,2TiO3 usually used as dielectric substrate. The materials produced were characterized in the microwave range. These are dielectrics with high relative permittivity and low loss tangent. The Ansoft HFSS, commercial program employee, using the finite element method, and was used for analysis of antennas studied in this work

Otimização de superfícies seletivas de frequência com elementos pré-fractais utilizando rede neural MLP e algoritmos de busca populacional

This thesis describes design methodologies for frequency selective surfaces (FSSs) composed of periodic arrays of pre-fractals metallic patches on single-layer dielectrics (FR4, RT/duroid). Shapes presented by Sierpinski island and T fractal geometries are exploited to the simple design of efficient band-stop spatial filters with applications in the range of microwaves. Initial results are discussed in terms of the electromagnetic effect resulting from the variation of parameters such as, fractal iteration number (or fractal level), fractal iteration factor, and periodicity of FSS, depending on the used pre-fractal element (Sierpinski island or T fractal). The transmission properties of these proposed periodic arrays are investigated through simulations performed by Ansoft DesignerTM and Ansoft HFSSTM commercial softwares that run full-wave methods. To validate the employed methodology, FSS prototypes are selected for fabrication and measurement. The obtained results point to interesting features for FSS spatial filters: compactness, with high values of frequency compression factor; as well as stable frequency responses at oblique incidence of plane waves. This thesis also approaches, as it main focus, the application of an alternative electromagnetic (EM) optimization technique for analysis and synthesis of FSSs with fractal motifs. In application examples of this technique, Vicsek and Sierpinski pre-fractal elements are used in the optimal design of FSS structures. Based on computational intelligence tools, the proposed technique overcomes the high computational cost associated to the full-wave parametric analyzes. To this end, fast and accurate multilayer perceptron (MLP) neural network models are developed using different parameters as design input variables. These neural network models aim to calculate the cost function in the iterations of population-based search algorithms. Continuous genetic algorithm (GA), particle swarm optimization (PSO), and bees algorithm (BA) are used for FSSs optimization with specific resonant frequency and bandwidth. The performance of these algorithms is compared in terms of computational cost and numerical convergence. Consistent results can be verified by the excellent agreement obtained between simulations and measurements related to FSS prototypes built with a given fractal iteration

Um estudo de estruturas com PBG e fotônica

One of the objectives of this work is the ana1ysis of planar structures using the PBG (photonic Bandgap), a new method of controlling propagation of electromagnetic waves in devices with dielectrics. Here the basic theory of these structures will be presented, as well as applications and determination of certain parameters. In this work the analysis will be performed concerning PBG structures, including the basic theory and applications in planar structures. Considerations are made related to the implementation of devices. Here the TTL (Transverse Transmission Line) method is employed, characterized by the simplicity in the treatment of the equations that govern the propagation of electromagnetic waves in the structure. In this method, the fields in x and z are expressed in function of the fields in the traverse direction y in FTD (Fourier Transform Domain). This method is useful in the determination of the complex propagation constant with application in high frequency and photonics. In this work structures will be approached in micrometric scale operating in frequencies in the range of T erahertz, a first step for operation in the visible spectra. The mathematical basis are approached for the determination of the electromagnetic fields in the structure, based on the method L TT taking into account the dimensions approached in this work. Calculations for the determination of the constant of complex propagation are also carried out. The computational implementation is presented for high frequencies. at the first time the analysis is done with base in open microstrip lines with semiconductor substrate. Finally, considerations are made regarding applications ofthese devices in the area of telecommunications, and suggestions for future

Electrical characterization of poly(amide-imide) for application in organic field effect devices

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

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

Characterization of lanthanum-doped bismuth titanate thin films prepared by polymeric precursor method

Lanthanum-modified bismuth titanate, Bi4-xLaxTi3O12 (BLT), with x ranging from 0 to 0.75 was grown on Pt/Ti/SiO2/Si substrates using a polymeric precursor solution and spin-coating method. The dielectric constant of highly doped bismuth titanate was equal to 148 while dielectric losses remained low (tan delta = 0.0018), and the films showed well-saturated polarization-electric field curves (2P(r) = 40.6 muC/cm(2) and V-c = 0.99 V). The leakage current densities improve for the lanthanum-doped system. For five-layered BLT films with x = 0.75, a charge storage density of 35 fC/mum(2) and a thickness of 320 nm were found. (C) 2004 Elsevier B.V. All rights reserved.

Electric characterization of a hybrid composite based on POMA/P(VDF- TrFE)/Zn2SiO4 : Mn using impedance spectroscopy

Understanding the microscopic origin of the dielectric properties of disordered materials has been a challenge for many years, especially in the case of samples with more than one phase. For polar dielectrics, for instance, the Lepienski approach has indicated that the random free energy barrier model of Dyre must be extended. Here we analyse the dielectric properties of a polymer blend made up with the semiconducting poly(o-methoxyaniline) and poly( vinylidene fluoride-trifluorethylene) POMA/P(VDF-TrFE), and of a hybrid composite of POMA/P(VDF-TrFE)/Zn2SiO4:Mn. For the blend, the Lepienski model, which takes into account the rotation or stretching of electric dipoles, provided excellent fitting to the ac impedance data. Because two phases had to be assumed for the hybrid composite, we had to extend the Lepienski model to fit the data, by incorporating a second transport mechanism. The two mechanisms were associated with the electronic transport in the polymeric matrix and with transport at the interfaces between Zn2SiO4: Mn microparticles and the polymeric matrix, with the relative importance of the interfacial component increasing with the percentage of Zn2SiO4: Mn in the composite. The analysis of impedance data at various temperatures led to a prediction of the theoretical model of a change in morphology at 190 +/- 40 K, and this was confirmed experimentally with a differential scanning calorimetry experiment.

Influence of the solution pH on the morphological, structural and electrical properties of Bi3.50La0.50Ti3O12 thin films obtained by the polymeric precursor method

Lanthanum-doped Bi4Ti3O12 thin films (BLT) were deposited on Pt/Ti/SiO2/Si substrates using a polymeric precursor solution. The spin-coated films were specular, crack-free and crystalline after annealing at 700 degrees C for 2 h. Crystallinity and morphological evaluation were examined by X ray diffraction (YRD) and atomic force microscopy (AFM). The stability of the formed complex is of extreme importance for the formation of the perovskite phase. Films obtained from acid pH solution present elongated grains around 200 ran in size, whereas films obtained from basic solution present a dense microstructure with spherical grains (100 nm). The dielectric and ferroelectric properties of the BLT films are strongly affected by the solution pH. The hysteresis loops are fully saturated with a remnant polarization and coercive voltage of P-r=20.2 mu C/cm(2) and V-c = 1.35 V and P-r= 15 mu C/cm(2) and V-c = 1.69 V for the films obtained from basic and acid solutions, respectively. (C) 2005 Elsevier B.V. All rights reserved.

Total secondary-electron yield of metals measured by a dynamic method

The secondary electron emission of dielectrics usually is measured by the pulse method, in which the dielectric is irradiated with short pulses of electrons. Attempts to use a dynamic method, in which the dielectric is irradiated continuously, have failed because the dielectric becomes charged and this charge interferes with the emission process. The dynamic method can, however, be applied to metals where volume charges are prevented. This article reports dynamic measurements of the total secondary emission yield from stainless steel, platinum, and aluminum and compares them with results from the current pulse method. In order to apply the dynamic method to metals a simple but important change in the setup was introduced: a dielectric slab was placed between the electrode and the metallic sample, which permitted the sample surface potential and therefore the energy of the incident electrons to change continuously. Unlike for dielectrics, the emission curves for metals are identical when obtained by the two methods. However, for a sample with deliberately oxidized surfaces the total secondary emission yield is smaller when measured with the dynamic method as compared with the pulse method, just as happens for dielectrics. (C) 2000 American Institute of Physics. [S0021-8979(00)03413-7].