Photoemission studies of Co- and Fe-based compounds with the ThMn12 structure

Abstract

The electronic structures of NdFe11Ti, NdCo10V2, and YCo10Cr2 have been studied with photoemission and spin-polarized calculations. The changes in these electronic structures upon nitrogenation have also been investigated. In the Fe compound, the Fe 3d states dominate the calculated density of states near the Fermi-edge, and the N(2p) peak is evident at around 6.3 eV. There is no shift in Fe 3d peaks visible in these compounds upon nitrogenation. Other than small energy shifts in the peak positions, there is an overall agreement between experimental data and the calculated density of states. The calculated density of states in the local-density approximation for YCo10V2 is broadened to account for the well-known many-body effects and compared with the photoemission data.