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cond-mat.mtrl-sci2025
Intrinsic structure of relaxor ferroelectrics from first principles
Xinyu Xu, Kehan Cai, Yubai Shi +2
We develop FIRE-Swap, a first-principles framework for sampling intrinsic compositional structures in complex perovskites with machine-learning interatomic potentials (MLIPs). Usin…
cond-mat.mtrl-sci2025
Undamped Soliton-like Domain Wall Motion in Sliding Ferroelectrics
Yubai Shi, Yuxiang Gao, Ri He +3
Sliding ferroelectricity in bilayer van der Waals materials exhibits ultrafast switching speed and fatigue resistance during the polarization switching, offering an avenue for the…