Configuration-interaction effects on theLandMAuger spectra of Cu and Zn

Abstract

Configuration interaction (CI) effects are examined for both initial and final states in the $L$- and $M$-shell Auger spectra of Cu and Zn. CI accounts for the anomalous energy splitting of $^{1}D$ and $^{3}P$ terms in the ${L}_{2,3}\ensuremath{-}{M}_{2,3}{M}_{2,3}$ Auger transition. At the same time CI increases the ${L}_{2,3}\ensuremath{-}{M}_{1}{M}_{4,5}$ $^{1}D$ transition rate, so that the $^{1}D$ intensity is comparable to the $^{3}D$ intensity. CI effects on the $^{1}D$ double-vacancy lifetimes, while in the right direction, are not sufficient to account for the observed difference in ${L}_{3}\ensuremath{-}{M}_{1}, {M}_{4,5}$ $^{1}D$ and $^{3}D$ linewidths. CI effects cannot account for the discrepancy between calculated and measured ${M}_{1}$ and ${M}_{2,3}$ linewidths. It is hypothesized that the discrepancy arises from the use of Herman-Skillman rather than Hartree-Fock wave functions in the calculation of low-energy super Coster-Kronig matrix elements. With matrix elements adjusted via this hypothesis the ${M}_{1}\ensuremath{-}VV$ and ${M}_{2,3}\ensuremath{-}VV$ Auger line shapes are calculated for Cu. Further the ${L}_{3}\ensuremath{-}{M}_{2,3}{M}_{2,3}$ and ${L}_{3}\ensuremath{-}{M}_{2,3}{M}_{4,5}$ line shapes, including final-state lifetime effects, are calculated. The latter calculations indicate that a discrepancy between calculated and measured ${L}_{2,3}\ensuremath{-}MM$ configuration intensities is an experimental artifact.