Ab initio spin polarized self-consistent LCAO energy band studies of ferromagnetic 3d transition metal films are reported. These films, 9 layer Ni(001) and 7 layer Fe(001), need to be thick enough to accurately determine the energy dispersion and spatial character of surface states and their effects on the surface magnetism, electron spin polarization and average exchange splittings. We find the layer spin density moments to show Friedel type oscillations and the surface layer moments for Ni(0.44μB) and Fe(3.0μβ) to be modified from the bulk values of 0.58μβ and 2.2μβ by their respective surface states close to the Fermi energy. Comparisons are made with bulk results, experimental data and other theoretical results.
ASJC Scopus subject areas
- Condensed Matter Physics