activity
20222025
most citedMachine-learning interatomic potential for molecular dynamics simulation of ferroelectric KNbO3 perovskite

32 citations · 53 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.mtrl-sci2025

A Geometric Pathway for Tuning Ferroelectric Properties via Polar State Reconfiguration

Hao-Cheng Thong, Bo Wu, Fan Hu +7

We report the discovery of a geometric pathway for tuning ferroelectric properties through thermally driven reconfiguration between coexisting polar states in Li-substituted NaNbO3…

cond-mat.mtrl-sci2025

Machine learning-enabled atomistic insights into phase boundary engineering of solid-solution ferroelectrics

Weiru Wen, Fan-Da Zeng, Ben Xu +4

Atomistic control of phase boundaries is crucial for optimizing the functional properties of solid-solution ferroelectrics, yet their microstructural mechanisms remain elusive. Her…

cond-mat.mtrl-sci2024

Origin of Increased Curie Temperature in Lithium-Substituted Ferroelectric Niobate Perovskite: Enhancement of the Soft Polar Mode

Hao-Cheng Thong, Fang-Zhou Yao, Xian-Xian Cai +7

The functionality of ferroelectrics is often constrained by their Curie temperature, above which depolarization occurs. Lithium (Li) is the only experimentally known substitute tha…

cond-mat.mtrl-sci2024★ 21 cited

Finite-temperature properties of antiferroelectric perovskite from deep learning interatomic potential

Huazhang Zhang, Hao-Cheng Thong, Louis Bastogne +3

The prototypical antiferroelectric perovskite (PZO) has garnered considerable attentions in recent years due to its significance in technological applications and fun…

cond-mat.mtrl-sci2022★ 32 cited

Machine-learning interatomic potential for molecular dynamics simulation of ferroelectric KNbO3 perovskite

Hao-Cheng Thong, XiaoYang Wang, Han Wang +3

Ferroelectric perovskites have been ubiquitously applied in piezoelectric devices for decades, among which, eco-friendly lead-free (K,Na)NbO3-based materials have been recently dem…