5 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…
Revisit the phase diagram and piezoelectricity of lead zirconate titanate from first principles
Yubai Shi, Ri He, Bingwen Zhang +1
Lead zirconate titanate (PbZr1-xTixO3, PZT) exhibits excellent piezoelectric properties in the morphotropic phase boundary (MPB) region of its temperature-composition phase diagram…