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

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

Research output: Contribution to journalArticle

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Abstract

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
Pages (from-to)369-378
Number of pages10
JournalPhysical Review B
Volume34
Issue number1
DOIs
Publication statusPublished - 1986

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Phase transitions
Metals
Tin
Electrons
Electron transitions
Charge density
Band structure
Ground state
Lattice constants
Electronic structure
metals
energy
lattice parameters
tin
plane waves
electrons
rocks
electronic structure
magnetic properties
orbitals

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Total-energy local-density studies of the - Phase transition in Ce. / Min, B. I.; Jansen, H. J F; Oguchi, T.; Freeman, Arthur J.

In: Physical Review B, Vol. 34, No. 1, 1986, p. 369-378.

Research output: Contribution to journalArticle

Min, B. I. ; Jansen, H. J F ; Oguchi, T. ; Freeman, Arthur J. / Total-energy local-density studies of the - Phase transition in Ce. In: Physical Review B. 1986 ; Vol. 34, No. 1. pp. 369-378.
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