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Metallic "ferroelectricity" in the pyrochlore Cd2Re2O7.

I A Sergienko1, V Keppens, M McGuire

  • 1Department of Physics and Physical Oceanography, Memorial University of Newfoundland, St. John's, Newfoundland, Canada A1B 3X7.

Physical Review Letters
|March 5, 2004
PubMed
Summary

Ferroelectric metals were theoretically proposed decades ago, but no examples existed until now. This study identifies cadmium rhenium oxide (Cd2Re2O7) as a ferroelectric metal, confirming theoretical predictions.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Solid State Chemistry

Background:

  • The concept of ferroelectric metals was theoretically introduced by Anderson and Blount in 1965.
  • Despite theoretical predictions, no experimental examples of ferroelectric metals have been reported to date.

Purpose of the Study:

  • To investigate the properties of Cd2Re2O7 and determine if it exhibits characteristics of a ferroelectric metal.
  • To analyze the cubic-to-tetragonal phase transition in Cd2Re2O7 using elastic moduli measurements.

Main Methods:

  • Measurements of elastic moduli of Cd2Re2O7 were performed across its 200 K phase transition.
  • Landau analysis was applied to the elastic moduli data.
  • First-principles calculations were conducted to study lattice instabilities.

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Main Results:

  • The elastic moduli analysis indicates that Cd2Re2O7 undergoes a transition consistent with the weaker definition of a ferroelectric metal (loss of center of symmetry).
  • First-principles calculations identified the dominant lattice instability associated with a twofold degenerate mode of E(u) symmetry.
  • The energetics of the transition are primarily driven by the movement of oxygen ions within the octahedra.

Conclusions:

  • Cd2Re2O7 is presented as the first experimental example of a ferroelectric metal, validating theoretical concepts.
  • The study elucidates the microscopic mechanisms, involving oxygen ion motion and specific lattice instabilities, driving the ferroelectric transition in this material.