Total-energy local-density studies of the - Phase transition in Ce

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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

74 Scopus citations


The ground-state properties of Ce metal are investigated using total-energy full-potential linearized augmented plane wave and linearized muffin-tin orbital band-structure methods within the local spin-density functional approximation. The energetics involved in the - phase transition are determined and discussed. For both paramagnetic and ferromagnetic cases, the electronic structures, density of states, charge densities, and total energies are presented as a function of the lattice parameter in order to assess the nature of the transformation with pressure, associated with a Mott-type transition in the 4f electrons. Stoner factor and electron-phonon coupling parameters are evaluated in order to discuss the magnetic and superconducting properties of Ce metal under pressure.

Original languageEnglish (US)
Pages (from-to)369-378
Number of pages10
JournalPhysical Review B
Issue number1
StatePublished - 1986

ASJC Scopus subject areas

  • Condensed Matter Physics


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