f-ELECTRON BONDING, ELECTRONIC STRUCTURE AND PHASE TRANSITIONS IN LANTHANUM AND CERIUM.

Warren E. Pickett*, A. J. Freeman, D. D. Koelling

*Corresponding author for this work

Research output: Contribution to journalConference article

13 Scopus citations

Abstract

Under pressure La and Ce show effects due to varying degrees of 4f localization, much the same as occurs in the actinide series where the 5f states change from itinerant to localized with increasing atomic number. A self-consistent Linearized Augmented Plane Wave method is used to elucidate the 4f character under changes in atomic volume (i. e. pressure) for the fcc phases of both La and Ce. In both metals, 4f occupation increases only slightly under pressure. The low temperature structural transitions of La under pressure correlate with changes of Fermi surface topology. The collapsed alpha -phase of Ce can be understood in terms of a band-like 4f state which participates weakly in bonding.

Original languageEnglish (US)
Pages (from-to)341-346
Number of pages6
JournalPhysica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics
Volume102
Issue number1-3
DOIs
StatePublished - Jan 1 1980
EventProc of the Int Conf on the Phys of Actinides and Relat 4f Mater -
Duration: Apr 9 1980Apr 11 1980

ASJC Scopus subject areas

  • Engineering(all)

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