Structure of Kα1,2- and Kβ1,3-emission x-ray spectra for Se, Y, and Zr

The $K\ensuremath{\alpha}$ and $K\ensuremath{\beta}$ x-ray spectra of Se, Y, and Zr were studied experimentally and theoretically in order to obtain information on the $K{\ensuremath{\alpha}}_{1}$ line asymmetry and the spin doublet in $K{\ensuremath{\beta}}_{1,3}$ diagram lines. Using a high-resolution antiparallel double-crystal x-ray spectrometer, we obtained the line shapes, that is, asymmetry index and natural linewidths. We found that the corrected full width at half maximum of the $K{\ensuremath{\alpha}}_{1}$ and $K{\ensuremath{\alpha}}_{2}$ lines as a function of $Z$ is in good agreement with the data in the literature. Furthermore, satellite lines arising from shake-off appear in the low-energy side of the $K{\ensuremath{\alpha}}_{1}$ and $K{\ensuremath{\alpha}}_{2}$ lines in Se but, in Y and Zr, it was very difficult to identify the contribution of the shake process to the overall lines. The $K{\ensuremath{\beta}}_{1,3}$ natural linewidth of these elements was also corrected using the appropriate instrumental function for this type of x-ray spectrometer, and the spin doublet energies were obtained from the peak positions. The corrected full width at half maximum (FWHM) of the $K{\ensuremath{\beta}}_{1}$ x-ray lines increases linearly with $Z$, but this tendency was found to be, in general, not linear for $K{\ensuremath{\beta}}_{3}$ x-ray lines. This behavior may be due to the existence of satellite lines originated from shake processes. Simulated line profiles, obtained using the multiconfiguration Dirac-Fock formalism, accounting for radiative and radiationless transitions and shake-off processes, show a very good agreement with the high-resolution experimental spectra.