Partial densities of states from x-ray absorption and Auger electron spectroscopy: Use of core-hole memory

Journal Article · 25 February 2022 · Journal of Vacuum Science and Technology A

DOI: https://doi.org/10.1116/6.0001432 · OSTI ID:1982937

Shirley, Eric L. ^[1]; Weiland, C. ^[2]; Woicik, J. C. ^[2]

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1. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Physical Measurement Laboratory
2. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Material Measurement Laboratory

Ag L₃ edge x-ray absorption and L₃−M_4,5M_4,5 Auger electron spectra have been measured and simulated for a variety of x-ray electric-field polarization and Auger electron emission directions. The theory relies on density-functional theory, use of the Bethe–Salpeter equation, atomic multiplet theory, and a simplified model for the Auger line shape and its dependence on photon energy. We also demonstrate that partial densities of states for dT_2g, dE_g, and sA_g symmetry partial-wave channels at the Ag site in the solid can be deduced from the experimental measurements with only atomic theoretical input, i.e., with no solid-state theory other than assuming a Fermi edge.

• Research Organization: Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
• Sponsoring Organization: USDOE Office of Science (SC)
• Grant/Contract Number: SC0012704
• OSTI ID: 1982937
• Journal Information: Journal of Vacuum Science and Technology A, Journal Name: Journal of Vacuum Science and Technology A Journal Issue: 2 Vol. 40; ISSN 0734-2101
• Publisher: American Vacuum Society / AIPCopyright Statement
• Country of Publication: United States
• Language: English