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 $L_{2,3}-M_{2,3}{M}_{2,3}$ Auger transition. At the same time CI increases the $L_{2,3}-M_1{M}_{4,5}$ ${}_{}{}^1{}_{}{}^{}D$ 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 $L_3-M_1, M_{4,5}$ ${}_{}{}^1{}_{}{}^{}D$ 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 $M_1-VV$ and $M_{2,3}-VV$ Auger line shapes are calculated for Cu. Further the $L_3-M_{2,3}{M}_{2,3}$ and $L_3-M_{2,3}{M}_{4,5}$ line shapes, including final-state lifetime effects, are calculated. The latter calculations indicate that a discrepancy between calculated and measured $L_{2,3}-MM$ configuration intensities is an experimental artifact.