One-Electron Physics of the Actinides

Abstract

We present a detailed analysis of the one-electron physics of the actinides. Various LMTO basis sets are analyzed in order to determine a robust bare Hamiltonian for the actinides. The hybridization between f- an spd- states is compared with the f-f hopping in order to understand the Anderson-like and Hubbard-like contributions to itineracy in the actinides. We show that both contributions decrease strongly as one move from the light actinides to the heavy actinides, while the Anderson-like contribution dominates in all cases. A real-space analysis of the band structure shows that nearest-neighbor hopping dominates the physics in these materials. Finally, we discuss the implications of our results to the delocalization transition as function of atomic number across the actinide series.

11 pages, 7 figures

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Cited by in corpus (7)

• Modelling the Localized to Itinerant Electronic Transition in the Heavy Fermion System CeIrIn5
• Thermal Energy Transport in Oxide Nuclear Fuel
• Valence Fluctuations and Quasiparticle Multiplets in Pu Chalcogenides and Pnictides
• Selectively Localized Wannier Functions
• Strong Correlations in Actinide Redox Reactions
• Pressure Effects on the 4f Electronic Structure of Light Lanthanides
• Finite f-Electron Bandwidth in a Heavy Fermion Model