32 citations · 32 across the 6 of their papers we have counts for
7 papers
Atomistic prediction of magnetic behaviour across chemistry, structure and temperature
Ruosong Shi, Chengbing Chen, Bicheng Liu +15
Controlling magnetic phases and properties through composition and external conditions is central to the development of magnetic materials. Atomistic foundation models offer a rout…
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…
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…
In Situ Nanometer-Resolution Strain and Orientation Mapping for Gas-Solid Reactions via Precession-Assisted Four-dimensional Scanning Transmission Electron Microscopy
Yongwen Sun, Ying Han, Dan Zhou +6
Chemomechanical interactions in gas or liquid environments are crucial for the functionality and longevity of various materials used in sustainable energy technologies, such as rec…
Experimental realization of the ground state for the antiferromagnetic Ising model on a triangular lattice
Ke Wang, Xing-Jian Liu, Li-Ming Tu +3
The antiferromagnetic Ising model on a triangular lattice (AFIT) exemplifies the most classical frustration system, arising from its triangular geometry that prevents all interacti…
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…
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…