First-Principles Investigation of Dynamical Electronic Response and Many-Body Effects in Metals

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9634502 Eguiluz This grant is to support work on calculation of collective properties of metals, namely the influence of electron- electron interaction using realistic band structure energies for electrons. The current understanding of these properties is based on rather simple models such as Jellium or Hubbard model. As the full complexity of the metal response is being explored in various state-of-the-art electron spectroscopies, such a study is not only feasible, it becomes imperative as well. The project includes: (1) calculation of inelastic scattering cross sections for electrons and x-rays, (2) influence of charge and spin fluctuations on the quasi particle states near the Fermi surface, (3) magnetic response of atomically thin films and (4) temperature dependence of the magnetic properties in a 3d ferromagnet. The work involves close collaboration with experimental colleagues. %%% This grant supports theoretical work on complex and subtle properties of metals using realistic models where the earlier work has been done on specially developed simplified models. The work involves calculation of specific quantities which can be compared to experiments. In particular, this project will considerably enhance our understanding of temperature dependence of magnetism and the magnetic properties of thin films. ***