Near-edge x-ray absorption and emission of cyanates and thiocyanates
Karina Bzheumikhova, John Vinson, Yves Kayser, Rainer Unterumsberger, Terrence J. Jach, Burkhard Beckhoff
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.
, Vinson, J.
, Kayser, Y.
, Unterumsberger, R.
, Jach, T.
and Beckhoff, B.
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 September 29, 2023)