Evolution of the CuKα3,4satellites from threshold to saturation

Abstract

Photoexcited Cu K␣ 3,4 satellite spectra were measured as a function of excitation energy, from threshold at ϳ10.010 keV to saturation at ϳ11 keV. A two-regime behavior is found, where in the near-threshold regime ͑TR͒ both the shape and the intensity of the spectrum vary. In the higher-energy regime ͑GR͒ only the intensity varies but not the shape. The GR spectra are well described by relativistic Dirac-Fock calculations. The analytic Thomas model, applicable in this adiabatic regime, does not agree well with the measured intensity variation with excitation energy. The continuous intensity rise from zero at threshold confirms the shake theory prediction of a pure shake-off process for inner-shell, medium-Z atom satellites. The thresholds for the individual spectral features, the overall shape variation, and the variations of the individual lines in the TR regime are determined, and discussed.

The evolution of inner-shell multielectronic X-ray spectra from threshold to saturation for low- to high-Z atoms

“…Further details of the setups at the various beamlines are given in Deutsch et al (1996);Fritsch et al (1998), Diamant et al (2000aDiamant et al ( b, 2006 and Huotari et al (2004).…”

“…The RMCDF calculations were done using the GRASP (Dyall et al, 1989) code with additional code written in-house. Further details on the calculations and spectral fits are given in Fritsch et al (1998) and Deutsch et al (1995Deutsch et al ( , 1996.…”

“…The D spectra allow, in principle, separation of the SU from the SO effects. The Ka 3,4 satellites, originating in inner-shell transitions, are predicted by shake theory to exhibit only SO effects (Deutsch et al, 1996;Fritsch et al, 1998). They should also allow, in principle, study of inter-shell correlations, since the two excited electrons come from different, though adjacent, shells.…”

Fundamental parameters line profile fitting in laboratory diffractometers

“…Satellites lines are also evident in Kβ 1 β 3 spectra and appear on both the low energy and high energy tails as the Kβ' and Kβ" lines [36]. The Kα 3 α 4 non-diagram lines arise from the transition 1s2p → 2p 2 in which the actual vacancy transition is 1s → 2p, but in the presence of a 2p spectator hole [37,38]. For most of the first transition series the Kα satellite structure can be fitted accurately with four or five Lorentzians [35,38].…”

“…The Kα 3 α 4 non-diagram lines arise from the transition 1s2p → 2p 2 in which the actual vacancy transition is 1s → 2p, but in the presence of a 2p spectator hole [37,38]. For most of the first transition series the Kα satellite structure can be fitted accurately with four or five Lorentzians [35,38]. In most x-ray diffraction studies this level of precision in fitting the satellites is unnecessary.…”