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

J. H. Shim, K. Haule, G. Kotliar
2009 Europhysics letters  
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
more » ... s a consistent and unified view of the XAS branching ratio for all elemental actinides, and is in good overall agreement with experiments.
doi:10.1209/0295-5075/85/17007 fatcat:dsqoockodbcobhjoqbkldwg6ui