The high coercive field (Ec) of hafnia-based ferroelectrics presents a major obstacle to their applications. The ferroelectric switching mechanisms in hafnia that dictate Ec, especially those related to nucleation-and-growth at the domain wall (DW), have remained elusive. Through deep-learning-assisted multiscale simulations, we determine the finite-temperature thermodynamics and switching mechanisms for diverse types of 180^∘ DWs, revealing a complex, stress-sensitive mobility landscape. The propagation velocities for mobile DW types under various thermal conditions can be characterized with a single creep equation, featuring a creep exponent of 2. This unconventional critical exponent results from the nucleation of a half-unit-cell-thin, elliptically-shaped critical nucleus. Our multiscale approach not only reproduces the experimental thickness (d) scaling, Ec∝ d-2/3, but also predicts that Ec of HfO₂ can be engineered to ≈0.1 MV/cm, even lower than perovskite ferroelectrics. The theoretical lower bound of Ec afforded by ferroelectric hafnia offers opportunities to realize power-efficient, high-fidelity ferroelectric nanoelectronics.
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Wu et al. (2024) studied this question.
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