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Electronic structure theory of Pu-Am and Pu-Ce alloys, and thin δ-Pu films

Published online by Cambridge University Press:  01 February 2011

Jindrich Kolorenc
Affiliation:
kolorenc@fzu.cz, Institute of Physics, Academy of Sciences of the Czech Republic, Praha, Czech Republic
Alexander Shick
Affiliation:
shick@fzu.cz, Institute of Physics, Academy of Sciences of the Czech Republic, Praha, Czech Republic
Ladislav Havela
Affiliation:
havela@mag.mff.cuni.cz, Charles University, Department of Condensed Matter Physics, Praha, Czech Republic
Alexander Lichtenstein
Affiliation:
alichten@physnet.uni-hamburg.de, University of Hamburg, Hamburg, Germany
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Abstract

We study effects of electron correlations on the electronic structure and spectra of Pu, Am and their alloys. We make use of the LDA + Hubbard-I approximation being implemented in the full-potential LAPW basis and including self-consistency over the charge density. We demonstrate that this approximation correctly captures trends observed in the experimental photoemission spectra of plutonium and its compounds: insensitivity of the f electron spectral features to alloying with another element and enhancement of f electron localization in thin films compared to the bulk material.

Type
Research Article
Copyright
Copyright © Materials Research Society 2010

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Electronic structure theory of Pu-Am and Pu-Ce alloys, and thin δ-Pu films
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