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From first- to second-order phase transitions in hybrid improper ferroelectrics through entropy stabilization

Fernando Pomiro, Chris Ablitt, Nicholas C. Bristowe, Arash A. Mostofi, Choongjae Won, Sang-Wook Cheong, and Mark S. Senn
Phys. Rev. B 102, 014101 – Published 7 July 2020
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Abstract

Hybrid improper ferroelectrics (HIFs) have been studied intensively over the past few years to gain an understanding of their temperature-induced phase transitions and ferroelectric switching pathways. Here we report a switching from a first- to a second-order phase transition pathway for HIFs Ca3xSrxTi2O7, which is driven by the differing entropies of the phases that we identify as being associated with the dynamic motion of octahedral tilts and rotations. A greater understanding of the transition pathways in this class of layered perovskites, which host many physical properties that are coupled to specific symmetries and octahedral rotation and tilt distortions—such as superconductivity, negative thermal expansion, fast ion conductivity, ferroelectricity, among others—is a crucial step in creating novel functional materials by design.

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  • Received 21 February 2020
  • Accepted 12 June 2020

DOI:https://doi.org/10.1103/PhysRevB.102.014101

Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

Published by the American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Fernando Pomiro1, Chris Ablitt1, Nicholas C. Bristowe2, Arash A. Mostofi3, Choongjae Won4, Sang-Wook Cheong4,5, and Mark S. Senn1,*

  • 1Department of Chemistry, University of Warwick, Gibbet Hill, Coventry CV4 7AL, United Kingdom
  • 2School of Physical Sciences, University of Kent, Canterbury CT2 7NH, United Kingdom
  • 3Departments of Materials and Physics, and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom
  • 4Laboratory for Pohang Emergent Materials and Max Planck POSTECH Center for Complex Phase Materials, Pohang University of Science and Technology, Pohang, Korea
  • 5Rutgers Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA

  • *m.senn@warwick.ac.uk

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Issue

Vol. 102, Iss. 1 — 1 July 2020

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