Prediction of a native ferroelectric metal

Abstract

The possibility that metals may support ferroelectricity is an open issue. Anderson and Blount showed that certain martensitic transitions involve inversion symmetry breaking and the formal existence of a polar axis, so 'metallic ferroelectric' behavior has been claimed for metals undergoing a centrosymmetric (CS) to non-CS structural transformation (Cd2ReO7, LiOsO3) or natively non-CS (SrCaRu2O), or for ferroelectric insulators whose polar distortion survives moderate metallicity induced by doping or proximity. However, none of these systems, nor any other to our knowledge, embodies a truly ferroelectric metal with native switchable polarization and native metallicity coexisting in a single phase. Here we report the first-ever theoretical prediction of such a material. By first-principles calculations, we show that the layered perovskite Bi5Ti5O17 has a non-zero density of states at the Fermi level and metal-like conductivity, as well as a spontaneous polarization in zero field. Further, we predict that the polarization of Bi5Ti5O17 is switchable both in principle, as the material complies with the sufficient symmetry requirements, and in practice, as Bi5Ti5O17 can sustain a sizable potential drop along the polar direction, as needed to revert its polarization by application of an electric bias.

25 pages, 8 figures, 1 table

References in corpus (9)

• BoltzTraP. A code for calculating band-structure dependent quantities
• Origin of magnetoelectric behavior in BiFeO${}_3$
• A ferroelectric-like structural transition in a metal
• Ferroelectric Instability under Screened Coulomb Interactions
• Metallic "Ferroelectricity" in the Pyrochlore Cd2Re2O7
• Giant Oscillating Thermopower at Oxide Interfaces
• Ferromagnetism and orbital order in a topological ferroelectric
• Bismuth-based perovskites as multiferroics
• Evolution of the electronic and lattice structure with carrier injection in BiFeO${}_3$

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