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

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

2008-09-23

arxiv.org/abs/0809.3843v1

Physics

Condensed Matter

Materials Science

6 pages, 4 figures

Scientific paper

10.1209/0295-5075/85/17007

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.

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