Calculated Phase Diagram for the γ⇌α Transition in Ce

Børje Johansson, I. A. Abrikosov, Magnus Aldén, Andrei Ruban, Hans Lomholt Skriver

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Abstract

We have calculated the pressure-temperature phase diagram of the γ⇌α isostructural transition in Ce on the basis of the Mott transition model. The theory correctly describes the linear variation of the transition temperature with pressure and the existence of a critical point. The quantitative agreement with the experimental diagram is good. The influence of different free energy contributions (configurational, magnetic, and vibrational) on the phase transition in Ce is discussed.
Original languageEnglish
JournalPhysical Review Letters
Volume74
Issue number12
ISSN0031-9007
DOIs
Publication statusPublished - 1995

Bibliographical note

Copyright (1995) by the American Physical Society.

Keywords

  • APPROXIMATION
  • HIGH-PRESSURE
  • MODEL
  • THERMAL-PROPERTIES
  • KONDO VOLUME-COLLAPSE
  • METALS
  • CERIUM
  • ALLOYS
  • TOTAL-ENERGY
  • LOCAL-DENSITY

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