Energy bands of (100) and (110) ferromagnetic Ni films

We discuss the procedure for obtaining the linear-combination-of-atomic-orbitals Hamiltonian and overlap parameters to fit the bulk energy bands of Ni. We then describe an internally consistent method for obtaining the shifts of the surface intra-atomic d parameters. The energy bands and planar densities of states of a 35-layer (100) and 47-layer (110) Ni film are calculated. Surface states exist above the majority-spin d bands throughout the two-dimensional Brillouin zone in the (100) case. Transitions from these surface states into an evenescent low-energy-electron-diffraction state account for the reversal of photoelectron spin polarization observed 0.1 eV above threshold in the (100) case.