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...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Physical review letters 1992-04, Vol.68 (17), p.2652-2655
Hauptverfasser: BORING, A. M, ALBERS, R. C, ERIKSSON, O, KOELLING, D. D
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
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.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.68.2652