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arXiv 2004-02-05 DOI 10.1103/PhysRevLett.92.065501 0 views

Metallic "Ferroelectricity" in the Pyrochlore Cd2Re2O7

Sergienko, I. A. · Keppens, V. · McGuire, M. · Jin, R. · He, J. · Curnoe, S. H. · Sales, B. C. · Blaha, P. · Singh, D. J. · Schwarz, K. · Mandrus, D.

Original · EN

A class of materials known as ``ferroelectric metals'' was discussed theoretically by Anderson and Blount in 1965 [Phys. Rev. Lett. 14, 217 (1965)], but to date no examples of this class have been reported. Here we present measurements of the elastic moduli of Cd2Re2O7 through the 200 K cubic-to-tetragonal phase transition. A Landau analysis of the moduli reveals that the transition is consistent with Cd2Re2O7 being classified as a ``ferroelectric metal'' in the weaker sense described by Anderson and Blount (loss of a center of symmetry). First-principles calculations of the lattice instabilities indicate that the dominant lattice instability corresponds to a two-fold degenerate mode with Eu symmetry, and that motions of the O ions forming the O octahedra dominate the energetics of the transition.

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