Abstract
Experimental angle-resolved photoemission spectra from Cr (001) are compared with the relevant intensities calculated in a 'one-step model' theory. The calculations reproduce most features observed in the spectra and relate them to the bulk band structure. This confirms the interpretation of the experimental band structure deduced previously from the photoemission data by means of the usual 'three-step model' assuming a free-electron-like final band dispersion. Yet the measured d bandwidth is about 20% smaller than predicted by standard one-electron band-structure calculations and a satellite is seen at about 7 eV below the Fermi level, suggesting that correlation effects are essential to the understanding of photoemission from Cr. Using perturbation theory (limited to second order in U/W where U is the Coulomb integral and W the d bandwidth) within the Hubbard model, the authors calculate the corrections induced by these electronic correlations: good agreement with the 'experimental' band structure, the observed d-band narrowing, the hole lifetimes and the satellite position is obtained for U=1.5 eV.
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