Tilt-driven ferrielectricity in PbZrO$_3$
Abstract
We reveal a tilt-driven mechanism for ferrielectricity in prototypical antiferroelectric PbZrO. Specifically, introducing an additional octahedral tilt into the antiferroelectric phase breaks the symmetry constraint that enforces equal antiparallel dipoles, converting the compensated ``'' nonpolar configuration into an uncompensated ``'' polar phase. First-principles calculations show that the phase becomes stabilized under lattice contraction and gains increasing free-energy advantage over competing phases at finite temperatures. Atomic-scale imaging directly confirms the presence of -like structures in thin films and single crystals. This work identifies a symmetry-governed, kinetically easily accessible pathway to ferrielectricity and establishes a form of ``competitive'' improper ferroelectricity, with broad implications for antiferroelectrics.
Cite
@article{arxiv.2607.27752,
title = {Tilt-driven ferrielectricity in PbZrO$_3$},
author = {Huazhang Zhang and Ying Liu and Carson Carroll and Saptam Ganguly and Bin Xu and Xiaozhou Liao and Gustau Catalan and Philippe Ghosez and Nicholas C. Bristowe},
journal= {arXiv preprint arXiv:2607.27752},
year = {2026}
}