English

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

Materials Science 2009-11-13 v1 Strongly Correlated Electrons

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.

Keywords

Cite

@article{arxiv.0809.3843,
  title  = {X-ray absorption branching ratio in actinides: LDA+DMFT approach},
  author = {J. H. Shim and K. Haule and G. Kotliar},
  journal= {arXiv preprint arXiv:0809.3843},
  year   = {2009}
}

Comments

6 pages, 4 figures

R2 v1 2026-06-21T11:23:03.909Z