PreprintCC BY 4.0arXiv
Angular compliance, not amplitude, governs the dielectric response of BaTiO3
Abstract
Soft-mode theory specifies a frequency, not what a local polar unit does. What real-space motion underlies the dielectric response of BaTiO3 therefore remains unclear. Using electric-field-induced molecular dynamics with a machine-learning force field, we show that the permittivity tracks the field-induced angular redistribution of local Ti-O off-centering, not its magnitude. Temperature and biaxial strain modify the local structure through different microscopic routes, yet both dielectric responses collapse onto a common relation with the same orientational descriptor, providing a real-space counterpart to soft-mode behavior.
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BibTeX
@misc{sahashi2026angular,
title = {{Angular compliance, not amplitude, governs the dielectric response of BaTiO3}},
author = {Ryotaro Sahashi and Po-Yen Chen and Teruyasu Mizoguchi},
howpublished = {arXiv},
year = {2026},
month = oct,
doi = {10.48550/arxiv.2609.07219},
eprint = {2609.07219},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.07219},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Angular compliance, not amplitude, governs the dielectric response of BaTiO3
AU - Ryotaro Sahashi
AU - Po-Yen Chen
AU - Teruyasu Mizoguchi
PY - 2026
DA - 2026/10/16
PB - arXiv
DO - 10.48550/arxiv.2609.07219
UR - https://arxiv.org/abs/2609.07219
AB - Soft-mode theory specifies a frequency, not what a local polar unit does. What real-space motion underlies the dielectric response of BaTiO3 therefore remains unclear. Using electric-field-induced molecular dynamics with a machine-learning force field, we show that the permittivity tracks the field-induced angular redistribution of local Ti-O off-centering, not its magnitude. Temperature and biaxial strain modify the local structure through different microscopic routes, yet both dielectric responses collapse onto a common relation with the same orientational descriptor, providing a real-space counterpart to soft-mode behavior.
ER -