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

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F15%3A00452005" target="_blank" >RIV/68378271:_____/15:00452005 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1088/1742-6596/592/1/012054" target="_blank" >http://dx.doi.org/10.1088/1742-6596/592/1/012054</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1088/1742-6596/592/1/012054" target="_blank" >10.1088/1742-6596/592/1/012054</a>

Result language
angličtina
Original language name
Theory of valence-band and core-level photoemission from plutonium dioxide
Original language description
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.
Czech name
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Czech description
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Project
<a href="/en/project/GAP204%2F10%2F0330" target="_blank" >GAP204/10/0330: Nanostructured actinide-based materials: Theory and experiment</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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