ferroelectric materials 1hafnium zirconium oxide 1machine learning force fields 1molecular dynamics 1polarization switching 1
From the 1 of 3 linked papers with an AI index.
3 papers
cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2026
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).…