Switchable Electric Dipole from Polaron Localization in Dielectric Crystals

Kazuki Morita; Yu Kumagai; Fumiyasu Oba; Aron Walsh

doi:10.1103/PhysRevLett.129.017601

Switchable Electric Dipole from Polaron Localization in Dielectric Crystals

Kazuki Morita, Yu Kumagai, Fumiyasu Oba, Aron Walsh

Department of Physics

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

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 language	English
Article number	017601
Journal	Physical Review Letters
Volume	129
Issue number	1
DOIs	https://doi.org/10.1103/PhysRevLett.129.017601
State	Published - 1 Jul 2022

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.

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10.1103/PhysRevLett.129.017601

Cite this

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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.",

author = "Kazuki Morita and Yu Kumagai and Fumiyasu Oba and Aron Walsh",

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AB - 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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Switchable Electric Dipole from Polaron Localization in Dielectric Crystals

Abstract

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