• Editors' Suggestion

Domains and ferroelectric switching pathways in Ca3Ti2O7 from first principles

Elizabeth A. Nowadnick and Craig J. Fennie
Phys. Rev. B 94, 104105 – Published 8 September 2016

Abstract

Hybrid improper ferroelectricity, where an electrical polarization can be induced via a trilinear coupling to two nonpolar structural distortions of different symmetries, recently was demonstrated experimentally in the n=2 Ruddlesden-Popper compound Ca3Ti2O7. In this paper we use group theoretic methods and first-principles calculations to identify possible ferroelectric switching pathways in Ca3Ti2O7. We identify low-energy paths that reverse the polarization direction by switching via an orthorhombic twin domain or via an antipolar structure. We also introduce a chemically intuitive set of local order parameters to give insight into how these paths are relevant to ferroelectric switching nucleated at domain walls. Our findings suggest that switching may proceed via more than one mechanism in this material.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
1 More
  • Received 20 June 2016
  • Revised 1 August 2016

DOI:https://doi.org/10.1103/PhysRevB.94.104105

©2016 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Elizabeth A. Nowadnick* and Craig J. Fennie

  • School of Applied and Engineering Physics, Cornell University, Ithaca, New York 14853, USA

  • *nowadnick@cornell.edu

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 94, Iss. 10 — 1 September 2016

Reuse & Permissions
Access Options
CHORUS

Article Available via CHORUS

Download Accepted Manuscript
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×