Theory of the electronic and magnetic structure of advanced spintronic materials

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This project develops and applies theoretical methods to investigate the electronic structure of advanced spintronic materials and calculates their relevant physical properties that are based on the band structure and density of states that are magnetic moments, Curie temperatures, phonon spectra, exchange coupling and magnetic anisotropies including reorientation transitions, magnon spectra, specific heat, conductivity, magnetoresistance, optical, photoemission and photoabsorption spectra. Extensions of LSDA to include dynamical correlations will be of importance to explain the results of all experimental groups working with spectroscopic methods. Stepwise, the methods will be improved and applied to the materials investigated by ASPIMATT. Attention will be paid on the design of new semiconducting as well as tetragonal materials with high Z atoms (e.g.: Mn2xYGa, Y=Fe, Pt) exhibiting perpendicular anisotropy for CPP-GMR and other devices for spintransport. Special emphasis will be given on interfaces, spin dependent transport phenomena, spectroscopic properties and photoemission.