Nonmagnetic ground state of PuO2
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F14%3A10271615" target="_blank" >RIV/00216208:11320/14:10271615 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1103/PhysRevB.89.041109" target="_blank" >http://dx.doi.org/10.1103/PhysRevB.89.041109</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.89.041109" target="_blank" >10.1103/PhysRevB.89.041109</a>
Alternative languages
Result language
angličtina
Original language name
Nonmagnetic ground state of PuO2
Original language description
The correlated band theory implemented as a combination of the local density approximation with the exact diagonalization of the Anderson impurity model is applied to PuO2. We obtain an insulating electronic structure consistent with the experimental photoemission spectra. The calculations yield a band gap of 1.8 eV and a nonmagnetic singlet ground state that is characterized by a noninteger filling of the plutonium f shell ( n(f) approximate to 4.5). Due to sizable hybridization of the f shell with thep states of oxygen, the ground state is more complex than the four-electron Russell-Saunders I-5(4) manifold split by the crystal field. The inclusion of hybridization improves the agreement between the theory and experiment for the magnetic susceptibility.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
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
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B - Condensed Matter and Materials Physics
ISSN
1098-0121
e-ISSN
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Volume of the periodical
89
Issue of the periodical within the volume
4
Country of publishing house
US - UNITED STATES
Number of pages
4
Pages from-to
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UT code for WoS article
000332333900001
EID of the result in the Scopus database
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