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Main Authors: Thong, Hao-Cheng, Wu, Bo, Hu, Fan, Groszewicz, Pedro B., Li, Chen-Bo-Wen, Chen, Jun, Zhang, Mao-Hua, Damjanovic, Dragan, Xu, Ben, Wang, Ke
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2510.25142
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author Thong, Hao-Cheng
Wu, Bo
Hu, Fan
Groszewicz, Pedro B.
Li, Chen-Bo-Wen
Chen, Jun
Zhang, Mao-Hua
Damjanovic, Dragan
Xu, Ben
Wang, Ke
author_facet Thong, Hao-Cheng
Wu, Bo
Hu, Fan
Groszewicz, Pedro B.
Li, Chen-Bo-Wen
Chen, Jun
Zhang, Mao-Hua
Damjanovic, Dragan
Xu, Ben
Wang, Ke
contents We report the discovery of a geometric pathway for tuning ferroelectric properties through thermally driven reconfiguration between coexisting polar states in Li-substituted NaNbO3. Using first-principles density functional theory calculation and 7Li solid-state nuclear magnetic resonance spectroscopy measurement, we reveal that Li substitution creates two distinct polar configurations whose transformation under annealing enhances the Curie temperature and induces piezoelectric hardening. Our findings establish a geometrically-driven polar state reconfiguration mechanism, providing a general design principle for ferroics whereby macroscopic functional properties can be engineered via lattice geometry.
format Preprint
id arxiv_https___arxiv_org_abs_2510_25142
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle A Geometric Pathway for Tuning Ferroelectric Properties via Polar State Reconfiguration
Thong, Hao-Cheng
Wu, Bo
Hu, Fan
Groszewicz, Pedro B.
Li, Chen-Bo-Wen
Chen, Jun
Zhang, Mao-Hua
Damjanovic, Dragan
Xu, Ben
Wang, Ke
Materials Science
We report the discovery of a geometric pathway for tuning ferroelectric properties through thermally driven reconfiguration between coexisting polar states in Li-substituted NaNbO3. Using first-principles density functional theory calculation and 7Li solid-state nuclear magnetic resonance spectroscopy measurement, we reveal that Li substitution creates two distinct polar configurations whose transformation under annealing enhances the Curie temperature and induces piezoelectric hardening. Our findings establish a geometrically-driven polar state reconfiguration mechanism, providing a general design principle for ferroics whereby macroscopic functional properties can be engineered via lattice geometry.
title A Geometric Pathway for Tuning Ferroelectric Properties via Polar State Reconfiguration
topic Materials Science
url https://arxiv.org/abs/2510.25142