X-ray absorption branching ratio in actinides: LDA+DMFT approach

J. H. Shim, K. Haule, G. Kotliar

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28 Scopus citations

Abstract

To investigate the X-ray absorption (XAS) branching ratio from the core 4d to valence 5f states, we set up a theoretical framework by using a combination of density functional theory in the Local Density Approximation and Dynamical Mean-Field Theory (LDA+DMFT), and apply it to several actinides. The results of the LDA+DMFT reduces to the band limit for itinerant systems and to the atomic limit for localized f electrons, meaning a spectrum of 5f itinerancy can be investigated. Our results provides a consistent and unified view of the XAS branching ratio for all elemental actinides, and is in good overall agreement with experiments.

Original languageEnglish (US)
Article number17007
JournalEPL
Volume85
Issue number1
DOIs
StatePublished - 2009

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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