The valence-band spectrum of the ferromagnetic nickel is calculated using the LDA+DMFT method. The auxiliary impurity model emerging in the course of the calculations is discretized and solved with the exact diagonalization, or, more precisely, with the Lanczos method. Particular emphasis is given to spin dependence of the valence-band satellite that is observed around 6 eV below the Fermi level. The calculated satellite is strongly spin polarized in agreement with experimental findings.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 20 Jun 2012|