Auger spectra of thiouracils: Three molecules and four edges
This work presents a comprehensive investigation of the Auger spectra of three thionated uracils using a combination of theory and experiment. Non-resonant Auger spectra measured at the K-edges of carbon, nitrogen, and oxygen, as well as at the L2,3 edge of sulfur are reported. Even though the final decay states (valence two-hole states) are the same for all edges, the resulting Auger spectra are strikingly different, highlighting the local nature of the Auger decay. Theoretical modeling, which employed a series of approaches incorporating varying levels of correlation and different treatments of the metastable states, provides a clear interpretation of the experimental spectra. The analysis highlights the crucial role of electron correlation, evident in both the density of the decay states and the spectra constructed using channel-specific partial decay widths, as well as the importance of spin–orbit coupling in shaping the L-edge spectra of thiouracils. Related Research |
Funding is provided by:
 National Science Foundation |  U.S. Department of Energy |  U.S. Army Research Laboratory |  USC Dornsife College of Letters, Arts, and Sciences |
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SSC-409, University of Southern California
Los Angeles, CA 90089-0482
Phone: 213-740-4929 (Prof. Krylov), 213-740-0893 (Lab)
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