The relativistic 5f electronic structure of delocalized $\alpha$-U and localized $\delta$-Pu from the self consistent vertex corrected GW approach and X-ray Emission Spectroscopy

TL;DR

This paper applies a self-consistent vertex corrected GW method and X-ray Emission Spectroscopy to study the 5f electronic structures of uranium and plutonium, revealing delocalization in uranium and localization in plutonium.

Contribution

It introduces a combined theoretical and experimental approach to distinguish 5f electron localization in actinides using advanced GW calculations and X-ray spectroscopy.

Findings

Confirmation of 5f delocalization in alpha-U via X-ray Emission Spectroscopy

Validation of the GW method for actinide electronic structure

Differentiation of 5f localization in delta-Pu and delocalization in alpha-U

Abstract

The recently developed self-consistent vertex corrected GW method is used to calculate the 5f electronic structure in delocalized $\alpha$-U and localized $\delta$-Pu, each of which is confirmed by the historical experimental approaches of direct and inverse photoemission. Tender X-Ray Emission Spectroscopy (XES), in a novel application to 5f electronic structure, is used to experimentally prove the existence of 5f delocalization in $\alpha$-U.