Dr
Kristina Kvashnina
(ESRF)
28/03/2010, 11:45
Theory, electronic structure
oral
A central issue in the investigation of various properties of actinide systems is the nature of the 5f electrons in different systems. Many of the unusual properties found specifically in uranium (U) compounds are thought to be related to the delocalization of the partially filled U 5f electron states and their hybridization with the U 6d-7s states. However, due to the complexity of the...
Dr
Leon Petit
(Daresbury Laboratory)
28/03/2010, 12:05
oral
The ground-state electronic structures of the actinide oxides AO, A2O3, and AO2
Mr
BORIS DORADO
(CEA CADARACHE)
28/03/2010, 12:25
Uranium dioxide UO2 is the standard nuclear fuel used in current pressurized water reactors. The description of this oxide by first-principles calculations remains challenging because of the peculiar properties of the uranium 5f electrons which do not allow the standard LDA or GGA functionals to accurately reproduce its electronic properties.
In this study, we use the DFT+U approximation to...
s m butorin
28/03/2010, 12:45
Theory, electronic structure
oral
X-ray absorption and emission spectroscopic study at O K-edges of light actinide oxides
S. M. Butorin,1 A. Modin1, Y. Yun1, M.-T. Suzuki1, J. Vegelius1, L. Werme1,
D. K. Shuh2, P. M. Oppeneer1, J. Nordgren1,
1 Depatment of Physics and Astronomy, Uppsala University, Box 516, S-751 20 Uppsala, Sweden, e-mail: sergei.butorin@fysik.uu.se
2 Lawrence Berkeley National Laboratory, Chemical...
