Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Near-edge x-ray absorption and emission of cyanates and thiocyanates

Published

Author(s)

Karina Bzheumikhova, John Vinson, Yves Kayser, Rainer Unterumsberger, Terrence J. Jach, 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

Citation

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 September 24, 2022)
Created September 20, 2022