EGAS41 - Swansea University
EGAS41 - Swansea University
EGAS41 - Swansea University
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41 st EGAS CP 181 Gdańsk 2009<br />
Structures of L-X-ray spectra for various valence electronic<br />
configurations of 4d transition metals<br />
M. Polasik ∗ , K. Kozio̷l, P. Matuszak, K. S̷labkowska, J. Starosta<br />
Faculty of Chemistry, Nicolaus Copernicus <strong>University</strong>, 87-100 Toruń, Poland<br />
∗ Corresponding author: mpolasik@uni.torun.pl<br />
In order to explain the influence of the changes in the valence electronic configuration on<br />
structure of Lα 1,2 and Lβ 1 X-ray lines for 4d transition metals the extensive multiconfiguration<br />
Dirac-Fock calculations with the inclusion of the transverse (Breit) interaction<br />
and QED corrections [1] have been carried out on zirconium, palladium and silver.<br />
Intensity (normalized)<br />
1<br />
0.8<br />
0.6<br />
0.4<br />
Pd Lβ 1<br />
Pd Lα 1,2<br />
4d 7 5s 0 4d 7 5s 0<br />
4d 10 5s 0<br />
0.6 4d 10 5s 0<br />
4d 9 5s 0<br />
4d 9 5s 0<br />
4d 8 5s 0<br />
4d 8 5s 0<br />
0.4<br />
0.2<br />
Intensity (normalized)<br />
0.2<br />
0<br />
2830 2835 2840 2845<br />
Energy [eV]<br />
0<br />
2980 2990 3000<br />
Energy [eV]<br />
Figure 1: Influence of the changes in the valence electronic configuration on the structure of<br />
Lα 1,2 and Lβ 1 X-ray lines of palladium.<br />
Table 1: Lα 1,2 and Lβ 1 x-ray line positions and Lβ/Lα intensity ratio for various valence<br />
configurations of zirconium and palladium.<br />
Valence Number of Lα 1,2 Lβ 1 Lβ/Lα<br />
configuration transitions [eV] [eV] ratio<br />
Zr: 4d 0 5s 2 3 2042.44 2124.99 0.518<br />
Zr: 4d 2 5s 2 1576 2041.98 2124.54 0.469<br />
Zr: 4d 4 5s 0 22266 2041.80 2124.48 0.497<br />
Pd: 4d 10 5s 0 3 2837.93 2990.58 0.525<br />
Pd: 4d 7 5s 0 8522 2838.60 2991.31 0.535<br />
It has been found (see Fig. 1 and Tab. 1) that the L-X-ray line structures (shapes<br />
and positions) and Lβ/Lα ratios depend noticeably on electronic valence configuration.<br />
Therefore the observation of the shapes and parameters of L-X-ray lines seems to be very<br />
good method to investigate electronic valence structure, especially in the study of the<br />
influence of the chemical environment on the changes in the valence configuration [2].<br />
Acknowledgment<br />
This work was supported by the Polish State Committee for Scientific Research under Grant<br />
No. N N202 1465 33.<br />
References<br />
[1] M. Polasik, Phys. Rev. A 52, 227 (1995)<br />
[2] Z. Liu, K. Yuge, J. Kawai, Spectrochimica Acta Part B 59, 93 (2004)<br />
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