Electronic and structural properties of rare earth metals at normal and high pressures: Eu and Yb

B. I. Min, H. J F Jansen, T. Oguchi, Arthur J Freeman

Research output: Contribution to journalArticlepeer-review

31 Citations (Scopus)

Abstract

Ground state properties of the divalent rare earth metals Eu and Yb at ambient and high pressures are investigated by calculating their band structures and total energies using the linearized muffin-tin orbital method. To monitor the strengths of the 4f interactions in the local density approximation the hybridization of the 4f electrons is either fully included (itinerant model) or completely neglected (localized model). The effects of spin-polarization are also included for Eu. Divalent to trivalent valence transitions under pressure are discussed and compared with recent X-ray absorption experiments. For Yb, the structural stability of its fcc, bcc and hcp phases is investigated and results are presented.

Original languageEnglish
Pages (from-to)277-286
Number of pages10
JournalJournal of Magnetism and Magnetic Materials
Volume59
Issue number3-4
DOIs
Publication statusPublished - 1986

ASJC Scopus subject areas

  • Condensed Matter Physics

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