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

Desenvolvimento de uma rota química alternativa de síntese de SrCo0,8Fe0,2O3- e LaNi0,3Co0,7O3- para aplicação na reação de oxidação do CO

This thesis focuses on the coprecipitation synthesis method for preparation of ceramic materials with perovskite structure, their characterization and application as catalytic material in the reaction of converting CO to CO2 developing a methodological alternative route of synthesis from the middle via oxalate coprecipitation material SrCo0,8Fe0,2O3-d. In order to check the influence of this method, it was also synthesized using a combined citrate - EDTA complexing method. The material was characterized by: X-ray diffraction (XRD), Rietveld refinement method, thermogravimetry and differential thermo analysis (TG / DTA), scanning (SEM) and transmission (TEM) electron microscopy, particle size distribution and surface analysis method BET. Both methods led to post-phase synthesis, with pH as a relevant parameter. The synthesis based on the method via oxalate coprecipitation among particles led to the crystalline phase as those obtained using a combined citrate - EDTA complexing method under the same conditions of heat treatment. The nature of the reagent used via oxalate coprecipitation method produced a material with approximately 80 % lower than the average size of crystallites. Moreover, the via oxalate coprecipitation method precursors obtained in the solid state at low temperature (~ 26 oC), shorter synthesis, greater thermal stability and a higher yield of around 90-95 %, maintaining the same order of magnitude the crystallite size that the combined citrate - EDTA complexing method. For purposes of comparing the catalytic properties of the material was also synthesized by the using a combined citrate - EDTA complexing method. The evaluation of catalytic materials SrCo0,8Fe0,2O3-d LaNi0,3Co0,7O3-d was accompanied on the oxidation of CO to CO2 using a stainless steel tubular reactor in the temperature range of 75-300 oC. The conversion CO gas was evaluated in both materials on the results shaved that the firm conversion was loves for the material LaNi0,3Co0,7O3-d

O problema da matéria escura e o teorema do virial na teoria de gravidade Eddington-Born-Infeld

Dark matter is a fundamental ingredient of the modern Cosmology. It is necessary in order to explain the process of structures formation in the Universe, rotation curves of galaxies and the mass discrepancy in clusters of galaxies. However, although many efforts, in both aspects, theoretical and experimental, have been made, the nature of dark matter is still unknown and the only convincing evidence for its existence is gravitational. This rises doubts about its existence and, in turn, opens the possibility that the Einstein’s gravity needs to be modified at some scale. We study, in this work, the possibility that the Eddington-Born-Infeld (EBI) modified gravity provides en alternative explanation for the mass discrepancy in clusters of galaxies. For this purpose we derive the modified Einstein field equations and find their solutions to a spherical system of identical and collisionless point particles. Then, we took into account the collisionless relativistic Boltzmann equation and using some approximations and assumptions for weak gravitational field, we derived the generalized virial theorem in the framework of EBI gravity. In order to compare the predictions of EBI gravity with astrophysical observations we estimated the order of magnitude of the geometric mass, showing that it is compatible with present observations. Finally, considering a power law for the density of galaxies in the cluster, we derived expressions for the radial velocity dispersion of the galaxies, which can be used for testing some features of the EBI gravity.

O problema da matéria escura e o teorema do virial na teoria de gravidade Eddington-Born-Infeld

Dark matter is a fundamental ingredient of the modern Cosmology. It is necessary in order to explain the process of structures formation in the Universe, rotation curves of galaxies and the mass discrepancy in clusters of galaxies. However, although many efforts, in both aspects, theoretical and experimental, have been made, the nature of dark matter is still unknown and the only convincing evidence for its existence is gravitational. This rises doubts about its existence and, in turn, opens the possibility that the Einstein’s gravity needs to be modified at some scale. We study, in this work, the possibility that the Eddington-Born-Infeld (EBI) modified gravity provides en alternative explanation for the mass discrepancy in clusters of galaxies. For this purpose we derive the modified Einstein field equations and find their solutions to a spherical system of identical and collisionless point particles. Then, we took into account the collisionless relativistic Boltzmann equation and using some approximations and assumptions for weak gravitational field, we derived the generalized virial theorem in the framework of EBI gravity. In order to compare the predictions of EBI gravity with astrophysical observations we estimated the order of magnitude of the geometric mass, showing that it is compatible with present observations. Finally, considering a power law for the density of galaxies in the cluster, we derived expressions for the radial velocity dispersion of the galaxies, which can be used for testing some features of the EBI gravity.