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DOE OSTI · 1785908

Underlying simplicity of 5f unoccupied electronic structure

Abstract

Using a simple empirical model based upon the bremsstrahlung isochromat spectroscopy of elemental Th, it is possible to explain the recent high energy resolution fluorescence detection measurements of UF 4 (n = 2) and UCd 11 (n = 3) as well as the new inverse photoelectron spectroscopy of Pu 2 O 3 (n = 5), where n is the 5f occupation number. Furthermore, a critical issue in this analysis is the assumption that the Th 5f states are essentially empty, which will be confirmed both experimentally and computationally. Thus, for 5f systems, this simple model provides a unified and consistent picture of 5f unoccupied density of states in simple, localized systems, as the 5f occupation varies in the early part of the series, for n = 0, 2, 3, and 5.

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BibTeXRIS

Tobin, J. G., Nowak, S., Yu, S. -W., Roussel, P., Alonso-Mori, R., Kroll, T., Nordlund, D., Weng, T. -C., Sokaras, D.. 2021-06-03. Underlying simplicity of 5f unoccupied electronic structure. https://doi.org/10.1116/6.0001007

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36 MATERIALS SCIENCE↗