Auger spectra of the noble gases. Krypton

Abstract

The Auger single $3d$ vacancy and satellite spectrum for Kr is calculated. It is shown for the single-vacancy $M_{4,5}-NN$ spectra that the calculations are in good agreement with experiment only if certain levels in Kr Iii are reassigned. The level at 171 997 ${\mathrm{cm}}^{-1\mathrm{}}$ attributed in Moore's tables to ${\mathrm{}\left(4p\right)\mathrm{}}^3{}_{}{}^2{}_{}{}^{}D\mathrm{}\left(4d\right)\mathrm{}{}_{}{}^1{}_{}{}^{}P_1^{}{}_{}{}^{}$ is assigned to the missing ${}_{}{}^3{}_{}{}^{}P_1^{}{}_{}{}^{}$ term, and the ${}_{}{}^1{}_{}{}^{}P_1^{}{}_{}{}^{}$ is located at 196 500 ${\mathrm{cm}}^{-1\mathrm{}}$. These reassignments are consistent with expected configuration-interaction effects. As a result the low-energy doublet in the Kr $M_{4,5}-NN$ spectrum is identified as the $M_{4,5}-N_1{N}_1$ transition, in agreement with recent energy calculations. Calculations were made to reproduce the observed satellite spectra $\mathrm{}\left(3d\right)\mathrm{}\left(4p\right)\mathrm{}\to {\mathrm{}\left(4p\right)\mathrm{}}^3$ and $\mathrm{}\left(3d\right)\mathrm{}\left(4p\right)\mathrm{}\to \mathrm{}\left(4s\right)\mathrm{}{\mathrm{}\left(4p\right)\mathrm{}}^2$, with both a statistical distribution of shakeoff and Auger decay of $3p$ vacancies, as population mechanisms for the $\mathrm{}\left(3d\right)\mathrm{}\left(4p\right)\mathrm{}$ configuration. It was found that the $\mathrm{}\left(3d\right)\mathrm{}\left(4p\right)-{\mathrm{}\left(4p\right)\mathrm{}}^3$ calculations with an initial $\mathrm{}\left(3d\right)\mathrm{}\left(4p\right)\mathrm{}$ population distribution from Auger decay of $3p$ vacancies were in excellent agreement with experiment, while the statistically distributed shakeoff hypothesis leads to relatively poor agreement. For the $\mathrm{}\left(3d\right)\mathrm{}\left(4p\right)\mathrm{}\to \mathrm{}\left(4s\right)\mathrm{}{\mathrm{}\left(4p\right)\mathrm{}}^2$ neither calculation is in agreement with experiment, because of the neglect of configuration interaction. The summed calculated intensity appears to agree with the summed measured intensity for an initial $\mathrm{}\left(3d\right)\mathrm{}\left(4p\right)\mathrm{}$ population produced by Auger decay of $3p$ vacancies. Statistically distributed shakeoff leads to a summed intensity far in excess of the summed measured intensity. We conclude that statistically...