|
The generalized multi-band Gutzwiller method, based on input from density functional theory, allows to calculate the ground state properties of correlated materials as well as their quasi particle bands. Here we present results for ferromagnetic Ni, including the effects of spin orbit coupling. We find very good agreement with all available photoemission data. Our results confirm the conjecture of Gersdorf that there exists a topology change of the Ni Fermi surface when the Ni magnetic moment is forced to align along (0,0,1). Furthermore, we claim that the oscillatory features seen in the Fermi surface cuts of the deHaas-vanAlphen data of Stark are possibly artefacts of the data inversion. Finally, our theory provides predictions for the spin-orbit splitting of high symmetry states near the Fermi energy on a meV scale which could be tested by modern day ARPES techniques.
* work in collaboration with J. Buenemann, F. Gebhard, Marburg and T. Ohm, S. Weiser, Dortmund |