On The Nature of the 5f States in Delta Plutonium

TL;DR

This paper develops a theoretical model for delta-plutonium's electronic structure, successfully reproducing experimental spectra and revealing a unique 5f electron configuration involving both localized and delocalized states.

Contribution

The paper introduces a new theoretical model that accurately describes the complex 5f electron behavior in delta-Pu, aligning with experimental photoelectron spectra.

Findings

Reproduces delta-Pu valence band photoelectron spectra

Identifies a unique 5f electron configuration in delta-Pu

Shows coexistence of localized and delocalized 5f electrons

Abstract

We present a theoretical model of the electronic structure of delta-Pu that is consistent with many of the electronic structure related properties of this complex metal. In particular we show that the theory is capable of reproducing the valence band photoelectron spectrum of delta-Pu. We report new experimental photoelectron spectra at several photon energies and present evidence that the electronic structure of delta-Pu is unique among the elements, involving a 5f shell with four 5f electrons in a localized multiplet, hybridizing with valence states, and approximately one 5f electron forming a completely delocalized band state.