Bzheumikhova, K.
, Vinson, J.
, Kayser, Y.
, Unterumsberger, R.
, Jach, T.
and Beckhoff, B.
(2022),
Near-edge x-ray absorption and emission of cyanates and thiocyanates, Physical Review B, [online], https://doi.org/10.1103/PhysRevB.106.125133, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=933062
(Accessed October 9, 2025)
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Near-edge x-ray absorption and emission of cyanates and thiocyanates
Published
Author(s)
Karina Bzheumikhova, , Yves Kayser, Rainer Unterumsberger, , Burkhard Beckhoff
Abstract
The comparability and reliability of the analysis of the electronic structure of selected cyanates and thio- cyanates at the nitrogen K edge based on BSE calculations have been investigated in this work. Using high-resolution x-ray spectroscopy with calibrated instrumentation reliable and reproducible experimental results for x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS) were achieved. These results were used to validate theoretical modeling with first-principles calculations based on the Bethe-Salpeter equation approach for the excited-state interactions. Furthermore, radiation-induced damages occurring in the samples are correlated with absolute doses.Citation
Physical Review B
Volume
106
Pub Type
Journals
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Created September 20, 2022, Updated November 29, 2022