27 March 2010 to 1 April 2010
CERN
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Electronic structure theory of Pu-based alloys and compounds: Pu-Am, Pu-Ce-alloys and PuCoGa5

30 Mar 2010, 11:05
20m
503/1-001 - Council Chamber (CERN)

503/1-001 - Council Chamber

CERN

162
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oral Theory, electronic structure Theory and Spectroscopy II

Speaker

Dr Alexander Shick (Institute of Physics ASCR, Prague)

Description

In the present work, we study the electron correlation effects in the electronic structure and spectra of Pu-Am, Pu-Ce alloys and PuCoGa5. We make use of the “local density matrix” approximation (LDMA) to DMFT, that combines the Hubbard-I approximation with the full-potential linearized augmented plane wave (FP-LAPW) method , including self-consistency over the charge density. Calculated PE spectra and electronic specific heatcoefficient are in good agreement with avaliable experimental data.

Primary author

Dr Alexander Shick (Institute of Physics ASCR, Prague)

Co-authors

Dr Jindrich Kolorenc (Institute of Physics ASCR, Prague and University of Hamburg) Prof. Ladislav Havela (Charles University, Prague)

Presentation materials