From the 1 of 7 linked papers with an AI index.
7 papers
Transient Detour and Cooperative Oxygen Exchange in the Polarization Switching of Ferroelectric Hf0.5Zr0.5O2
Ryotaro Sahashi, Po-Yen Chen, Teruyasu Mizoguchi
The paper uses electric-field-driven molecular dynamics with a machine‑learning force field to reveal that polarization switching in hafnium‑zirconium oxide occurs via cooperative…
Transition from Homogeneous to Domain-Wall-Mediated Polarization Switching in BaTiO3: A Machine-Learning Molecular Dynamics Study
Po-Yen Chen, Teruyasu Mizoguchi
Polarization switching in ferroelectric BaTiO3 can proceed through fundamentally different mechanisms - yet the conditions that determine which pathway is realized remain poorly un…
Long-range interaction effects on the phase transition, mechanical effect, and electric field response of BaTiO3 by machine learning potentials
Po-Yen Chen, Teruyasu Mizoguchi
Bulk materials are governed by both short-range and long-range interactions, both of which are naturally captured in conventional density functional theory (DFT) calculations throu…
Origin of Reduced Coercive Field in ScAlN: Synergy of Structural Softening and Dynamic Atomic Correlations
Ryotaro Sahashi, Po-Yen Chen, Teruyasu Mizoguchi
Among wurtzite-type ferroelectrics, scandium-doped aluminum nitride (ScAlN) has emerged as a leading candidate for CMOS-compatible low-voltage memory, combining strong spontaneous…
Decoupling structural and bonding effects on ferroelectric switching in ScAlN via molecular dynamics under an applied electric field
Ryotaro Sahashi, Po-Yen Chen, Teruyasu Mizoguchi
ScxAl1-xN has emerged as a promising wurtzite-type ferroelectric material, where increasing the Sc composition reduces both the coercive field (Ec) and remanent polarization (Pr).…
Effect of uniaxial compressive stress on polarization switching and domain wall formation in tetragonal phase BaTiO3 via machine learning potential
Po-Yen Chen, Teruyasu Mizoguchi
Ferroelectric materials such as BaTiO3 exhibit spontaneous polarization that can be reoriented by an external electric field, forming the basis of various memory, actuator, and sen…