Final-state effects in the 3d photoelectron spectrum of Fe3O4 and comparison with FexO

Abstract
Photoelectron-spin-polarization measurements with photon energies up to 11 eV on Fe3 O4 and energy distribution curves in the photon energy range 5<hν<90 eV on magnetite Fe3 O4 and wustite (FeO) are interpreted in terms of the atomic theory of the single-ion-in-a-crystal-field model. The combination of the two different experiments yields the shapes and positions of the filled oxygen 2p bands and the 3dn1 final states of Fe ions with a reliability previously not attained. The 3dn1-multiplet structure of Fe3 O4 can be explained with the following set of parameters: 10Dq=1.75 eV and the Racah parameter B=645 cm1 for Fe3+ left behind in B lattice sites; 10Dq=1.55 eV for Fe4+ in A sites. The difference in threshold for photoionization of Fe2+ and Fe3+ in B sites is 1.0 eV. The oxygen 2p emission is found to be centered at 7.3 eV below the Fermi level with a full width of 3 eV at half-maximum. The 3d-multiplet structure of FexO can be explained with 10Dq=1.7±0.1 eV and B=800 cm1.