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    Intrinsic correspondence between monoclinic and orthorhombic HfO2 via mutual induction of lattice modes on the domain wall

    Hyun-Jae Lee1,*, Pawan Kumar1,*, Chang Hoon Kim1, Jihoon Choi1, Umesh Waghmare2, and Jun Hee Lee1,3,†

    • *These authors contributed equally to this work.
    • †Contact author: junhee@unist.ac.kr

    Phys. Rev. B 113, 174116 – Published 19 May, 2026

    DOI: https://doi.org/10.1103/81qn-1yq4

    Abstract

    The persistence of the ground state monoclinic phase (M phase) and the isotropic switching kinetics in hafnium oxide (HfO2) remain significant physical puzzles. Here, we reveal that these phenomena are governed by a mechanism of “mutual induction” between lattice distortion modes, linked through the topological connectivity of phonon bands. We show that the spatial reversal of the ferroelectric orthorhombic (Pca21) distortion modes inevitably induces their structural counterparts, which constitute the ground state monoclinic (P21/c) motif, to maintain lattice continuity at the domain boundaries. Using layer-resolved mode decomposition, we demonstrate that the 180∘ domain wall is not a discrete boundary but a locally reconstructed zone where the M phase is inherently embedded. Energetic calculations indicate that this localized M phase reconstruction creates a deep potential well that pins the domain wall, providing a unified microscopic origin for the isotropic switching kinetics that override the expected crystallographic anisotropy. Our findings establish the domain wall as a structural origin for M phase persistence, offering a physical framework to understand and control the reliability and phase stability of HfO2-based ferroelectrics.

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