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antiferroelectric materials 1ferrielectricity 1first-principles calculations 1octahedral tilts 1phase transitions 1

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cond-mat.mtrl-sci2026

Tilt-driven ferrielectricity in PbZrO

Huazhang Zhang, Ying Liu, Carson Carroll +6

The paper demonstrates that adding an octahedral tilt to the antiferroelectric PbZrO₃ structure breaks symmetry and creates a ferrielectric polar phase, confirmed by first‑principl…