Influence of changes in the valence electronic configuration on the K beta-to-K alpha x-ray intensity ratios of the 3d transition metals

摘要

Very extensive multiconfiguration Dirac-Fock calculations including the transverse (Breit) interaction and quantum electrodynamics corrections have been carried out for all 3d transition metals to explain reliably the dependence of K beta-to-K alpha x-ray intensity ratios on the changes in configurations of the valence electrons. For all considered atoms the greatest values of the K beta-to-K alpha intensity ratios are for 3d(m-2)4s(2) configuration type, then for 3d(m-1)4s(1), and the smallest values are for 3d(m) type. It has been found that for each type of electronic configuration the K beta-to-K alpha intensity ratios increase evidently with the atomic number and for a particular atom they are quite sensitive to the changes of the valence electronic configuration. The greatest relative increase of the K beta-to-K alpha intensity ratios (4%) as a result of transition from electronic configuration of the 3d(m-1)4s(1) type to the 3d(m-2)4s(2) type takes place for Sc and the smallest relative increase (2%) takes place for Cu. The presented results make it possible to carry out reliable interpretation of various experimental K beta-to-K alpha x-ray intensity ratios for 3d transition metals in their compounds and alloys and can also provide quantitative information about the changes of the valence electronic configurations of these metals in considered systems. [References: 38]