Made available in DSpace on 2014-10-09T12:54:09Z (GMT). No. of bitstreams: 0 / Made available in DSpace on 2014-10-09T14:09:15Z (GMT). No. of bitstreams: 1 12442.pdf: 17943869 bytes, checksum: d8ae26da3e514d980c366a9cafa81e22 (MD5) / Dissertacao (Mestrado) / IEA/D / Instituto de Quimica, Universidade de Sao Paulo - IQ/USP

In this work we study the interesting physics of the rare earths, and the microscopic state after ultrafast magnetization dynamics in iron. Moreover, this work covers the development, examination and application of several methods used in solid state physics. The first and the last part are related to strongly correlated electrons. The second part is related to the field of ultrafast magnetization dynamics. In the first part we apply density functional theory plus dynamical mean field theory within the Hubbard I approximation to describe the interesting physics of the rare-earth metals. These elements are characterized by the localized nature of the 4f electrons and the itinerant character of the other valence electrons. We calculate a wide range of properties of the rare-earth metals and find a good correspondence with experimental data. We argue that this theory can be the basis of future investigations addressing rare-earth based materials in general. In the second part of this thesis we develop a model, based on statistical arguments, to predict the microscopic state after ultrafast magnetization dynamics in iron. We predict that the microscopic state after ultrafast demagnetization is qualitatively different from the state after ultrafast increase of magnetization. This prediction is supported by previously published spectra obtained in magneto-optical experiments. Our model makes it possible to compare the measured data to results that are calculated from microscopic properties. We also investigate the relation between the magnetic asymmetry and the magnetization. In the last part of this work we examine several methods of analytic continuation that are used in many-body physics to obtain physical quantities on real energies from either imaginary time or Matsubara frequency data. In particular, we improve the Padé approximant method of analytic continuation. We compare the reliability and performance of this and other methods for both one and two-particle Green's functions. We also investigate the advantages of implementing a method of analytic continuation based on stochastic sampling on a graphics processing unit (GPU).

Kunststoffgebundene Dauermagnete kommen bereits seit einem dreiviertel Jahrhundert in diversen Anwendungen zum Einsatz. Dabei werden die gängigen Kunststoffverarbeitungsverfahren wie beispielsweise Spritzgießen, Extrudieren, Pressen und Kalandrieren angewandt. Ähnlich zu der Aufteilung in der Verarbeitung von herkömmlichen Kunststoffen, werden auch für die kunststoffgebundenen Dauermagnete nur selten duroplastische Matrixmaterialien im Spritzgießverfahren eingesetzt. Dabei bringt gerade diese Werkstoffklasse hervorragende Eigenschaften mit sich, die eine Verbesserung der Eigenschaften von kunststoffgebundenen Dauermagneten zur Folge haben können. Neben der Medien- und Temperaturbeständigkeit dieser Werkstoffklasse spielt dabei auch deren Viskosität eine bedeutende Rolle für diese Anwendung. Im Rahmen der vorliegenden Arbeit soll geprüft werden, ob der Einsatz duroplastischer Matrixmaterialien zu einer Verbesserung der Eigenschaften kunststoffgebundener Dauermagnete führen kann. Hierfür werden anisotrope Magnetpartikel in den Kunststoff eincompoundiert und während der Verarbeitung im Spritzgießverfahren orientiert. Dies geschieht durch ein integriertes Magnetfeld im Spritzgießwerkzeug. Insbesondere sollen der Einfluss des Matrixmaterials, der Partikelgeometrie, der Fließrichtung sowie des Richtfeldes auf die Partikelorientierung untersucht werden. Zusammen mit grundlegenden analytischen Untersuchungen der Ausgangsmaterialien sollen abschließend Richtlinien für eine Bauteilauslegung definiert und erste Ansätze für eine Simulation der magnetischen Bauteileigenschaften erarbeitet werden. / Polymer bonded magnets are used for different applications for over 70 years yet. These materials are produced within known polymer processing procedures as injection molding, extruding, compression molding and calendaring. However, as for standard plastics thermoset materials are seldom used in injection molding even though they show great potential regarding temperature and media resistance as well as in terms of a low viscosity. These properties could be of use in case of polymer bonded magnets. Within this work the use of thermoset matrix materials for polymer bonded magnets should be evaluated and thus their properties shall be improved. Therefore anistotropic magnetic particles will be incorporated in the thermoset matrix and they will be oriented during the injection molding process which requires a magnetic field in the cavity during processing. Especially the influences of the matrix material, the particle geometry, the flow direction and the aligning field on the particle orientation should be investigated and together with fundamental analytical procedures guidelines for engineering of parts should be generated as well as first approaches for a simulation of the part properties shall be given.