Switchable Electric Dipole from Polaron Localization in Dielectric Crystals

Kazuki Morita, Yu Kumagai, Fumiyasu Oba, and Aron Walsh
Phys. Rev. Lett. 129, 017601 – Published 28 June 2022
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Abstract

Ferroelectricity in crystals is associated with the displacement of ions or rotations of polar units. Here we consider the dipole created by donor doping (D+) and the corresponding bound polaron (e). A dipole of 6.15 Debye is predicted, from Berry phase analysis, in the Ruddlesden-Popper phase of Sr3Ti2O7. A characteristic double-well potential is formed, which persists for high doping densities. The effective Hubbard U interaction can vary the defect state from metallic, a two-dimensional polaron, through to a zero-dimensional polaron. The ferroelectriclike behavior reported here is localized and distinct from conventional spontaneous lattice polarization.

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  • Received 16 February 2022
  • Accepted 5 June 2022

DOI:https://doi.org/10.1103/PhysRevLett.129.017601

© 2022 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Kazuki Morita1, Yu Kumagai2, Fumiyasu Oba2,3, and Aron Walsh1,4,*

  • 1Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom
  • 2Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology, Yokohama 226-8503, Japan
  • 3Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama 226-8503, Japan
  • 4Department of Materials Science and Engineering, Yonsei University, Seoul 03722, Korea

  • *a.walsh@imperial.ac.uk

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Issue

Vol. 129, Iss. 1 — 1 July 2022

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