Supercell calculations of the valence photoemission spectra of CeSb, PrSb, and NdSb

Photoemission spectra, as calculated using a transition-state analysis within a supercell approach, are found to be in good agreement with experimental data for both PrSb and NdSb. The model assumes localized f electrons in the ground state and a localized f photohole in the final state. By comparing these results to previous ones for CeSb, we determine how the photoemission peak due to f emission moves further away from the Fermi energy for higher Z. Finally, we predict where a second f feature might be seen if resonant photoemission were done on these two compounds.