Intrinsic switching leads to oxygen diffusion and breakdown in hafnia ferroelectrics

Abstract

Conventional ferroelectrics exhibit well-defined polarization states linked through electric switching. In fluorite-structured ferroelectrics like hafnia, though, switching and oxygen diffusion seem to coexist, enriching the nature of ferroelectricity. Here we address the intrinsic, room-temperature switching and diffusion kinetics of hafnia ferroelectrics using machine-learning molecular dynamics. We identify two distinct switching mechanisms that are both active at realistic time scales. Critically, our simulations reveal that, because the lattice does not dissipate fast enough the heat originating from localized switching events, these two processes concatenate in an avalanche-like manner leading to oxygen conduction. Our results thus show that intrinsic switching leads to breakdown in hafnia ferroelectrics. They also suggest how this outcome might be avoided through suitably designed field pulses.

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BibTeX RIS

BibTeX

@misc{cerio2026intrinsic,
  title = {{Intrinsic switching leads to oxygen diffusion and breakdown in hafnia ferroelectrics}},
  author = {Xabier Diaz de Cerio and Iñigo Robredo-Magro and Jorge Íñiguez-González},
  howpublished = {arXiv},
  year = {2026},
  month = sep,
  doi = {10.48550/arxiv.2609.26030},
  eprint = {2609.26030},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2609.26030},
}

RIS

TY  - UNPB
TI  - Intrinsic switching leads to oxygen diffusion and breakdown in hafnia ferroelectrics
AU  - Xabier Diaz de Cerio
AU  - Iñigo Robredo-Magro
AU  - Jorge Íñiguez-González
PY  - 2026
DA  - 2026/09/22
PB  - arXiv
DO  - 10.48550/arxiv.2609.26030
UR  - https://arxiv.org/abs/2609.26030
AB  - Conventional ferroelectrics exhibit well-defined polarization states linked through electric switching. In fluorite-structured ferroelectrics like hafnia, though, switching and oxygen diffusion seem to coexist, enriching the nature of ferroelectricity. Here we address the intrinsic, room-temperature switching and diffusion kinetics of hafnia ferroelectrics using machine-learning molecular dynamics. We identify two distinct switching mechanisms that are both active at realistic time scales. Critically, our simulations reveal that, because the lattice does not dissipate fast enough the heat originating from localized switching events, these two processes concatenate in an avalanche-like manner leading to oxygen conduction. Our results thus show that intrinsic switching leads to breakdown in hafnia ferroelectrics. They also suggest how this outcome might be avoided through suitably designed field pulses.
ER  -

Abstract

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