Theory of valence-band and core-level photoemission from plutonium dioxide

Jindřich Kolorenč; Agnieszka Kozub; Alexander Shick

doi:10.1088/1742-6596/592/1/012054

Theory of valence-band and core-level photoemission from plutonium dioxide

Abstract

The correlated-band theory implemented as a combination of the local-density approximation with the dynamical mean-field theory is applied to PuO2. An insulating electronic structure, consistent with the experimental valence-band photoemission spectra, is obtained. The calculations yield a nonmagnetic ground state that is characterized by a noninteger filling of the plutonium 5f shell. The noninteger filling as well as the satellites appearing in the 4f core-level photoemission spectra originate in a sizable hybridization of the 5f shell with the 2p states of oxygen.

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Authors (3)

Jindřich Kolorenč
- Institute of Physics, Academy of Sciences of the Czech Republic Department of Condensed Matter Theory
Agnieszka Kozub
Alexander Shick
- Institute of Physics, Academy of Sciences of the Czech Republic Department of Condensed Matter Theory

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DOI:: Digital Object Identifier (open in new tab) 10.1088/1742-6596/592/1/012054
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Category:: Articles
Type:: publikacja w in. zagranicznym czasopiśmie naukowym (tylko język obcy)
Published in:: Journal of Physics : Conference Series no. 592, pages 1 - 7,
ISSN: 1742-6588
Language:: English
Publication year:: 2015
Bibliographic description:: Kolorenč J., Kozub A., Shick A.. Theory of valence-band and core-level photoemission from plutonium dioxide. Journal of Physics : Conference Series, 2015, Vol. 592, , s.1-7
DOI:: Digital Object Identifier (open in new tab) 10.1088/1742-6596/592/1/012054
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