Open AccessX‐ray spectroscopic study of chemical state in uranium carbides
Author(s) -
Butorin Sergei M.,
Bauters Stephen,
Amidani Lucia,
Beck Aaron,
Weiss Stephan,
Vitova Tonya,
Tougait Olivier
Publication year - 2022
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s160057752101314x
Subject(s) - x ray absorption spectroscopy , carbide , xanes , uranium , spectral line , ground state , chemical state , electron , absorption spectroscopy , absorption edge , x ray , impurity , materials science , k edge , x ray fluorescence , x ray photoelectron spectroscopy , chemistry , atomic physics , fluorescence , physics , band gap , nuclear magnetic resonance , optics , metallurgy , nuclear physics , optoelectronics , astronomy , organic chemistry
UC and UMeC 2 (Me = Fe, Zr, Mo) carbides were studied by the high‐energy‐resolution fluorescence‐detected X‐ray absorption (HERFD‐XAS) technique at the U M 4 and L 3 edges. Both U M 4 and L 3 HERFD‐XAS reveal some differences between UMeC 2 and UC; there are differences also between the M 4 and L 3 edge results for both types of carbide in terms of the spectral width and energy position. The observed differences are attributed to the consequences of the U 5 f , 6 d –4 d (3 d ) hybridization in UMeC 2 . Calculations of the U M 4 HERFD‐XAS spectra were also performed using the Anderson impurity model (AIM). Based on the analysis of the data, the 5 f occupancy in the ground state of UC was estimated to be 3.05 electrons. This finding is also supported by the analysis of U N 4,5 XAS of UC and by the results of the AIM calculations of the U 4 f X‐ray photoelectron spectrum of UC.