Spectroscopic factors of atomic subshells for HAXPES applications

Abstract

Theoretical photoionization cross sections which are used in the XPS and HAXPES data processing correspond to the main line along with shake-up satellites and shake-off continuum. The main line intensity is proportional to the photoionization cross section and the spectroscopic factor. Nevertheless photoionization cross sections can be used in XPS for estimation of relative intensities since the spectroscopic factors of the currently used XPS lines are about the same for outer shells and close to the value 0.8. Recent progress in HAXPES technique and research interests in investigation of deeper atomic shells require reliable theoretical cross sections of main lines for inner atomic shells. In the present work spectroscopic factors for all atomic subshell of all atoms 2≤Z≤100 are calculated using the sudden approximation and the Dirac–Fock electron wave functions. The spectroscopic factor of deep atomic shells was found may be less by ∼20% than that of outer shells. The factors are essential for the main line intensity determination and should be used in the data processing in the HAXPES region.