Switchable Electric Dipole from Polaron Localization in Dielectric Crystals

Kazuki Morita, Yu Kumagai, Fumiyasu Oba, Aron Walsh

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Article number017601
JournalPhysical review letters
Volume129
Issue number1
DOIs
Publication statusPublished - 2022 Jul 1

Bibliographical note

Funding Information:
Funding was received from the Yoshida Scholarship Foundation and Japan Student Services Organization. This work was also supported by the core-to-core collaboration funded by EPSRC (EP/R034540-1) and JSPS (JPJSCCA20180006). Via our membership of the UK’s HEC Materials Chemistry Consortium, funded by EPSRC (EP/L000202 and EP/P020194), this work used the ARCHER2 Supercomputing Service.

Publisher Copyright:
© 2022 American Physical Society.

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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