Meta-screening and permanence of polar distortion in metallized ferroelectrics

Abstract

Ferroelectric materials are characterized by a spontaneous polar distortion. The behavior of such distortions in the presence of free charge is the key to the physics of metallized ferroelectrics in particular, and of structurally-polar metals more generally. Using first-principles simulations, here we show that a polar distortion resists metallization and the attendant suppression of long-range dipolar interactions in the vast majority of a sample of 11 representative ferroelectrics. We identify a meta-screening effect, occurring in the doped compounds as a consequence of the charge rearrangements associated to electrostatic screening, as the main factor determining the survival of a non-centrosymmetric phase. Our findings advance greatly our understanding of the essentials of structurally-polar metals, and offer guidelines on the behavior of ferroelectrics upon field-effect charge injection or proximity to conductive device elements.

arXiv comment13 pages, 9 figures

References in corpus (26)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3
• Phase transitions in BaTiO${}_3$ from first principles
• Origin of magnetoelectric behavior in BiFeO${}_3$
• A ferroelectric-like structural transition in a metal
• Lattice dynamics of BaTiO3, PbTiO3 and PbZrO3: a comparative first-principles study
• Experimental demonstration of hybrid improper ferroelectricity and presence of abundant charged walls in (Ca,Sr)${}_3$Ti${}_2$O${}_7$ crystals
• Octahedral rotation-induced ferroelectricity in cation ordered perovskites
• First-principles predictions of low-energy phases of multiferroic BiFeO3
• Engineering multiferroism in CaMnO${}_3$
• Theoretical aspects of Andreev spectroscopy and tunneling spectroscopy in non-centrosymmetric superconductors: a topical review
• Ferroelectric Soft Phonons, Charge Density Wave Instability and Strong Electron-Phonon Coupling in BiS2-Layered Superconductors
• Designing a robustly metallic noncenstrosymmetric ruthenate oxide with large thermopower anisotropy
• `Ferroelectric' Metals Reexamined: Fundamental Mechanisms and Design Considerations for New Materials
• Ferroelectric Instability under Screened Coulomb Interactions
• First-principles study of the temperature-pressure phase diagram of BaTiO3
• Anomalous enhancement of tetragonality in PbTiO3 induced by negative pressure
• Ab initio Evidence for Giant Magnetoelectric Responses Driven by Structural Softness
• Hyperferroelectrics: proper ferroelectrics with persistent polarization
• Magnetoelectric response of multiferroic BiFeO3 and related materials
• Prediction of a native ferroelectric metal
• Electric control of the magnetization in BiFeO${}_3$/LaFeO${}_3$ superlattices
• Ab initio study of proper topological ferroelectricity in layered perovskite La2Ti2O7
• Persisting of Polar Distortion with Electron Doping in Lone-Pair Driven Ferroelectrics
• Evolution of the electronic and lattice structure with carrier injection in BiFeO${}_3$

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• Two-dimensional ferroelectric tunnel junction: the case of monolayer In:SnSe/SnSe/Sb:SnSe homostructure
• Rashba spin-splitting in ferroelectric oxides: from rationalizing to engineering
• Design of a multifunctional polar metal via first-principles high-throughput structure screening
• Polar Metals Taxonomy for Materials Classification and Discovery
• Interplay between Ferroelectricity and Metallicity in BaTiO${}_3$
• Peierls transition, ferroelectricity, and spin-singlet formation in the monolayer VOI${}_2$
• Artificial two-dimensional polar metal by charge transfer to a ferroelectric insulator
• Probing ferroelectricity in highly conducting materials through their elastic response: persistence of ferroelectricity in metallic BaTiO3-d
• Free carrier induced ferroelectricity in layered perovskites
• Recent Advances in Unconventional Ferroelectrics and Multiferroics
• Evidence for an extended critical fluctuation region above the polar ordering transition in LiOsO${}_3$
• Emergent superconductivity in doped ferroelectric hafnia
• Mechanism for Switchability in Electron-Doped Ferroelectric Interfaces
• Revival of Layered Ferroelectrics in Thin Films
• Theory of polarization-switchable electrical conductivity anisotropy in nonpolar semiconductors