A Geometric Pathway for Tuning Ferroelectric Properties via Polar State Reconfiguration

TL;DR

This paper introduces a geometric pathway for tuning ferroelectric properties by reconfiguring polar states in Li-substituted NaNbO3, combining theoretical and experimental methods to reveal a new mechanism for property enhancement.

Contribution

It uncovers a novel geometric mechanism for polar state reconfiguration in ferroelectrics, enabling property tuning through lattice geometry modifications.

Findings

Li substitution creates two distinct polar configurations.

Annealing enhances Curie temperature and piezoelectric hardening.

The mechanism offers a new design principle for ferroic materials.

Abstract

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.