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

Warren E. Pickett, Arthur J Freeman, D. D. Koelling

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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
Pages (from-to)341-346
Number of pages6
JournalPhysica B+C
Volume102
Issue number1-3
Publication statusPublished - Oct 1980

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ASJC Scopus subject areas

  • Engineering(all)

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