969 resultados para Spin-projected calculations


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In a concise way, the article reports part of the Master of Arts dissertation in Music entitled The meaning of the teaching of Arts in H. Gardner's perspective, presented in the IAUNESP [Arts Institute-State of Sao Paulo University] in 2008. Some considerations on the Statutory Law n. 11.769/08 were added to the original text. The produced research had an exploratory nature and a theoretical mark. Some texts by Howard Gardner, by the psychologist Eliane Leao, as well as the text of the National Syllabus Parameters-Art, from the Department of Elementary Education, served as a foundation for this article. The intended aim was to demonstrate to what extent the pedagogical proposition of the Arts Education projected by H. Gardner is similar to the one proposed by the National Syllabus Parameters, and which would the benefits be in this age group of an artistic sensitizing work for the development of the individual's personality.

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Fuel cells are a very promising solution to the problems of power generation and emission of pollutant to the environment, excellent to be used in stationary application and mobile application too. The high cost of production of these devices, mainly due to the use of noble metals as anode, is a major obstacle to massive production and deployment of this technology, however the use of intermetallic phases of platinum combined with other metals less noble has been evaluated as electrodes in order to minimize production costs and still being able to significantly improve the catalytic performance of the anode. The study of intermetallic phases, exclusively done by experimental techniques is not complete and demand that other methods need to be applied to a deeper understanding of the behavior geometric properties and the electronic structure of the material, to this end the use of computer simulation methods, which have proved appropriate for a broader understanding of the geometric and electronic properties of the materials involved, so far not so well understood.. The use of computational methods provides answers to explain the behavior of the materials and allows assessing whether the intermetallic may be a good electrode. In this research project was used the Quantum-ESPRESSO package, based on the DFT theory, which provides the self-consistent field calculations with great precision, calculations of the periodic systems interatomic force, and other post-processing calculations that points to a knowledge of the geometric and electronic properties of materials, which may be related to other properties of them, even the electrocatalytic. The electronic structure is determined from the optimized geometric structure of materials by analyzing the density of states (DOS) projected onto atomic orbital, which determines the influence of the electrocatalytic properties of the material... (Complete abstract click electronic access below)

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In this graduate work we will perform the dimensional reduction of particles of spin s=0, s=1 and s=2 via Kaluza Klein mechanism. The method of Kaluza-Klein dimensional reduction is introduced by the dimensional reduction from D to D

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We have studied the physical content of the following models: Maxwell, Proca, Self-Dual and Maxwell-Chern-Simons. One method we have used is the decomposition in the so called helicity variables, which can be done in the Lagrangian formalism. It leads to the correct counting of degrees of freedom without choosing a gauge condition. The method separates the propagating modes from the non-propagating ones. The Hamiltonian of the MCS and the AD is calculated. The second method used here is the analysis of the sign of the imaginary part of the residues of the two-point amplitude of the theory, showing that the models analyzed are free of ghosts. We also carry the dimensional reduction of the Maxwell-Chern-Simons and Self-Dual models from D = 2+1 to D = 1 + 1 dimensions. Next, we show that the dimensional reduction of those equivalent models also leads to equivalent models in D=1+1. Even more interesting is the fact, demonstrated here, that those reduced models can also be connected via gauge embedding. So the gauge embedding of the Self-Dual model into the Maxwell-Chern-Simons theory is preserved by the dimensional reduction

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MgTiO3 (MTO) thin films were prepared by the polymeric precursor method with posterior spin-coating deposition. The films were deposited on Pt(111)/Ti/SiO2/Si(100) substrates and heat treated at 350 °C for 2 h and then heat treated at 400, 450, 500, 550, 600, 650 and 700 °C for 2 h. The degree of structural order−disorder, optical properties, and morphology of the MTO thin films were investigated by X-ray diffraction (XRD), micro-Raman spectroscopy (MR), ultraviolet− visible (UV−vis) absorption spectroscopy, photoluminescence (PL) measurements, and field-emission gun scanning electron microscopy (FEG-SEM) to investigate the morphology. XRD revealed that an increase in the annealing temperature resulted in a structural organization of MTO thin films. First-principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and disordered asymmetric models. The electronic properties were analyzed, and the relevance of the present theoretical and experimental results was discussed in the light of PL behavior. The presence of localized electronic levels and a charge gradient in the band gap due to a break in the symmetry are responsible for the PL in disordered MTO lattice.

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The reaction of [Pd{dmba}(l-N3)]2 (dmba = N,N-dimethylbenzylamine) with 1-(2-fluorophenyl)-3-(4- nitrophenyl)triazenido (L1 ) or 1,3-bis(4-nitrophenyl)triazenido (L2 ) anions, in methanol, and subsequent treatment with pyridine (py) allows the preparation of the corresponding cyclopalladated compounds [Pd(dmba)(L1 )(py)] (1) and [Pd(dmba)(L2 )(py)]py (2). The acentric mononuclear entities of (1) and (2) are connected by weak intermolecular non-classical CAHC hydrogen bonds, which results in 2-D arrangements by translation, along the [1 0 0] and [0 01] crystallographic directions, respectively.

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Pós-graduação em Física - IFT

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

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

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

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

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)