| Issue |
EPL
Volume 85, Number 1, January 2009
|
|
|---|---|---|
| Article Number | 17007 | |
| Number of page(s) | 5 | |
| Section | Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties | |
| DOI | https://doi.org/10.1209/0295-5075/85/17007 | |
| 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: jishim@physics.rutgers.edu
Received:
23
September
2008
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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