Energy bands of (111) ferromagnetic Ni films

Abstract
Using the same bulk Ni linear-combination-of-atomic-orbitals (LCAO) parameters and two-center surface shift parameters that we used for (100) and (110) Ni films, we have calculated the energy bands and planar densities of states for a 32-layer (111) Ni film. Our calculated thin-film bands fail to account for the photoelectron-spin-polarization reversal observed by Eib and Alvarado; this failure is attributed to errors in the bulk energy bands from which the LCAO parameters were obtained and is not believed to be an intrinsic error in the thin-film calculation.