Ferroelectric materials hold great promise for next-generation electronic devices, yet their practical implementation is often impeded by issues such as fatigue and loss. Unraveling polarization dynamics is pivotal to overcoming these hurdles. In this work, we employ a first-principles-based effective Hamiltonian formalism combined with molecular dynamics simulations to investigate the influence of depolarization fields on 180° domain switching dynamics in ferroelectric thin films. Two distinct switching pathways are identified: under near-ideal charge screening (screening factor $\beta =1.00$), domain switching proceeds via continuous shrinking of the original domain through inward propagation of 180° domain walls (referred to as “domain-shrinking switching”); under relatively poor surface charge screening $(\beta =0.90)$, switching is initiated by nucleation and growth of newly reversed domains in the central region of the original domain, with the outward polarization of the original domain being pinned initially and eventually vanishing (termed “central nucleation switching with pinned boundaries”). A continuous transition between these pathways occurs as β increases from 0.90 to 1.00. A phase diagram mapping the dependence of the switching pathway on charge screening conditions is constructed. Furthermore, the origin of these two distinct pathways is elucidated from a microscopic perspective, focusing on polarization reversal energy barriers and effective electric field distributions. This study highlights the decisive role of interfacial electrostatic screening in modulating domain wall dynamics and provides theoretical guidance for designing tunable ferroelectric devices.

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• Ferroelectricity
• Thin films
• Molecular dynamics