α-γ transition in Ce: A detailed analysis of electron spectroscopy

Abstract

Impurity Anderson Hamiltonian parameters have been obtained for the \ensuremath{\alpha} and \ensuremath{\gamma} phases of Ce by a detailed analysis and a comparison with the published electron spectroscopy data, using the 1/N expansion theory with energy-dependent hybridization calculated in the local-spin-density-functional approximation. With the surface contributions included, the theory provides a remarkably good description of various spectroscopic data with the same set of Hamiltonian parameters for all spectroscopies. The calculated susceptibility for these parameters is in good agreement with the experimental value. A previous result of analyzing the valence-band spectrum gave a susceptibility value that is much too large compared with the experimental one. We find that this discrepancy is caused by ignoring the surface emission in the spectral analysis.