The Auger decay and dielectric capture in differently charged sulfur ion with an initial hole in either <i>K</i> or <i>L</i> shell were simulated using relativistic multiconfiguration Dirac-Fock approaches. This configuration interaction approach enables one to model three-electron processes in an Auger decay through a careful treatment of correlation between electronic configurations, and allows computing electron spectra, the population of final-states and Auger yields. The wave function of the free electron in autoionization and radiationless electron capture rates were also calculated based on the relativistic distorted-wave and isolated resonance approximations. The quantum electrodynamic simulations reveal that the Auger kinetic energies decrease linearly as function of the charge and the Auger yield rate varies with the ionization state of sulfur ion. The electron configurations of different ionization states directly affect the Coulomb and Breit interactions differently in Auger transitions. The intensity ratios and the energy gaps between different Auger transitions were found to change with ionization state of the sulfur ions.

Relativistic multiconfiguration Dirac-Fock Simulations of Auger Decay in Sulfur Ions

ACS Fall 2021

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