Hubbard parameters for metallic Ce
We have obtained a phase diagram of the {alpha}{r arrow}{gamma} transition (moment formation) as a function of the {ital U} and {ital J} Kanamori Hubbard parameters. Overlap and hybridization terms are obtained by a tight-binding fit to first-principles band calculations. At the one-electron level w...
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Veröffentlicht in: | Physical review letters 1992-04, Vol.68 (17), p.2652-2655 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | We have obtained a phase diagram of the {alpha}{r arrow}{gamma} transition (moment formation) as a function of the {ital U} and {ital J} Kanamori Hubbard parameters. Overlap and hybridization terms are obtained by a tight-binding fit to first-principles band calculations. At the one-electron level we obtain no fundamental change in the interaction energies in going through the {alpha}{r arrow}{gamma} transition region. This is the first model to obtain self-consistent values for the Hubbard parameters in the solid state and they are in reasonable agreement with the experimentally derived values. |
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ISSN: | 0031-9007 1079-7114 |
DOI: | 10.1103/PhysRevLett.68.2652 |