Theoretical x-ray-photoemission-spectroscopy intensities of the actinide compoundsUIr3,UPt3, andUAu3

Abstract

The relativistic formulas for x-ray-photoemission-spectroscopy (XPS) intensities are derived and used in calculations for ${\mathrm{UIr}}_3$, ${\mathrm{UPt}}_3$, and ${\mathrm{UAu}}_3$. The densities of states and the potentials used to calculate the radial matrix elements were taken from fully relativistic self-consistent linear muffin-tin orbital (LMTO) electronic band-structure calculations. The calculated XPS intensities agree well with experimental XPS data for ${\mathrm{UPt}}_3$ and ${\mathrm{UAu}}_3$ (there are no XPS data for ${\mathrm{UIr}}_3$). This suggests that the band-structure model for these heavy fermions is valid at room temperature and away from the Fermi energy, where the effects of the strong renormalization of the independent-electron properties that are presumably responsible for the exotic low-temperature anomalies seem to have little influence.