Effects of core-level degeneracies on core-level spectra

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Abstract

Effects of core-level degeneracies on X-ray photoemission spectra are considered theoretically and computationally. Processes within each degenerate sub-level manifold are treated by a leading-order cumulant approximation, and processes which connect spin-orbit or crystal-field split levels to leading order in the core-electron self-energy. The cumulant approximation is consistent with earlier asymptotic results and correctly describe the leading moments of the core-electron spectrum. The central quantity in both cases is an exponent function which may be expressed in terms of projected state densities and core-valence Coulomb matrix elements. Numerical results are presented for the Al L-2.3 and the Rh and Pd M-4.5 levels and compared with recent experiments. In the case of Rh M-4.5, the level-dependent effects are strong leading to an increased asymmetry, a much increased lifetime width of the M-4 level, and deviation from Lorentzian lifetime broadening. In Pd, the effects are much weaker owing to a much smaller Fermi-surface d density of states at the core-hole atom, and it is almost negligible in Al, the most noticeable effect being an increased width of the lower L-2 component. (C) 2004 Elsevier B.V. All rights reserved.

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Nyckelord

Originalspråkengelska
Sidor (från-till)393-399
TidskriftJournal of Electron Spectroscopy and Related Phenomena
Volym137-40
StatusPublished - 2004
PublikationskategoriForskning
Peer review utfördJa