X-ray absorption branching ratio in actinides: LDA plus DMFT approach
SCIE
SCOPUS
- Title
- X-ray absorption branching ratio in actinides: LDA plus DMFT approach
- Authors
- Shim, JH; Haule, K; Kotliar, G
- Date Issued
- 2009-01
- Publisher
- EDP SCIENCES S A
- 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. Copyright (C) EPLA, 2009
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/10170
- DOI
- 10.1209/0295-5075/85/17007
- ISSN
- 0295-5075
- Article Type
- Article
- Citation
- EPL, vol. 85, no. 1, page. 17007, 2009-01
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