4 papers
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…
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…
Sliding Flexoelectricity in Two-Dimensional van der Waals Systems
Ri He, Hua Wang, Fenglin Deng +5
Two-dimensional sliding ferroelectrics, with their unique stacking degrees of freedom, offer a different approach to manipulate polarization by interlayer sliding. Bending sliding…
A compositional ordering-driven morphotropic phase boundary in ferroelectric solid solutions
Yubai Shi, Yifan Shan, Hongyu Wu +3
Ferroelectric solid solutions usually exhibit giant dielectric response and high piezoelectricity in the vicinity of the morphotropic phase boundary (MPB), where the structural pha…