5 papers
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…
Electric Field-Induced Phase Transitions and Hysteresis in Ferroelectric HfO2 Captured with Machine Learning Potential
Po-Yen Chen, Teruyasu Mizoguchi
Electric field-induced studies, including phase transition and polarization hysteresis, for ferroelectric HfO2 at the atomic scale are critical since they can largely affect its ap…