Investigating Experimental Short Term Imprint Dynamics in Ferroelectric Hafnium Oxide Through Phase‐Field Modeling

Abstract Ferroelectric imprint in Hf 0.5 Zr 0.5 O 2 (HZO) polycrystalline thin films poses severe reliability challenges to ferroelectric devices, with its underlying mechanisms still under debate. In this study, a novel 3D phase‐field modeling framework is presented to investigate the time‐dependent imprint phenomenon in HZO thin films. The phase‐field model incorporates charge injection and electron tunneling within the polycrystalline phase‐field structure, effectively reproducing key experimental trends, including polarization‐voltage curve shifts with increasing pause time, together with the recovery process achieved through field cycling. Through comprehensive analysis, the framework contributes to elucidating the complex interplay between the interfacial dielectric layer and electron detrapping mechanisms, which are critical in shaping ferroelectric imprint behavior. These findings enhance the understanding of imprint mechanisms in polycrystalline hafnium oxide and provide strategic insights for improving the performance and long‐term reliability of HZO‐based ferroelectric devices.