| Zugriffsnummer | 48853 |
| Dokumenttyp | Zeitschriftenartikel |
| Peer Review | mit Peer Review |
| Sprache | Englisch |
| Titel | Near edge X-ray absorption and emission of cyanates and thiocyanates |
| Autor(in); Institution |
Vinson, John; Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland, USA
Jach, Terrence; Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland, USA
Beckhoff, Burkhard; 7.2, Röntgenmesstechnik mit Synchrotronstrahlung, PTB-Berlin
|
| Quelle/Jahr | Physical Review B: 106 (2022), 12, 125133-1 - 125133-10 |
| Artikelnummer | 125133 |
| ISSN | 2469-9969 (ONLINE) ; 2469-9950 (PRINT) |
| DOI | |
| Verlag | Washington, DC: APS |
| Freie Schlagworte | Research Areas ; Techniques ; Electronic structure ; Bethe-Salpeter equation ; Resonant inelastic x-ray scattering ; x-ray absorption near-edge spectroscopy |
| Zusammenfassung | The comparability and reliability of the analysis of the electronic structure of selected cyanates and thiocyanates 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. |
| Themenbereich der Metrologie | Photometrie und Radiometrie |