Volume 85, Number 1, January 2009
|Number of page(s)||5|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||16 January 2009|
X-ray absorption branching ratio in actinides: LDA + DMFT approach
Department of Physics, Rutgers University - Piscataway, NJ 08854, USA
Corresponding author: firstname.lastname@example.org
Accepted: 3 December 2008
To investigate the X-ray absorption (XAS) branching ratio from the core to valence 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 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.
PACS: 78.70.Dm – X-ray absorption spectra / 71.10.-w – Theories and models of many-electron systems / 71.27.+a – Strongly correlated electron systems; heavy fermions
© EPLA, 2009
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