Meta-screening and permanence of polar distortion in metallized ferroelectrics

Hong Jian Zhao, Alessio Filippetti, Carlos Escorihuela-Sayalero, Pietro Delugas, Enric Canadell, L. Bellaiche, Vincenzo Fiorentini, and Jorge Íñiguez
Phys. Rev. B 97, 054107 – Published 15 February 2018
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Abstract

Ferroelectric materials are characterized by a spontaneous polar distortion. The behavior of such distortion 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 noncentrosymmetric 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.

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  • Received 1 December 2017
  • Revised 19 January 2018

DOI:https://doi.org/10.1103/PhysRevB.97.054107

©2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Hong Jian Zhao1, Alessio Filippetti2,3, Carlos Escorihuela-Sayalero1, Pietro Delugas4, Enric Canadell5, L. Bellaiche6, Vincenzo Fiorentini2,3, and Jorge Íñiguez1

  • 1Materials Research and Technology Department, Luxembourg Institute of Science and Technology (LIST), Avenue des Hauts-Fourneaux 5, L-4362 Esch/Alzette, Luxembourg
  • 2Dipartimento di Fisica, Università di Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy
  • 3CNR-IOM Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy
  • 4Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, I-34136 Trieste, Italy
  • 5Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra, Spain
  • 6Physics Department and Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas 72701, USA

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Issue

Vol. 97, Iss. 5 — 1 February 2018

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