Mapping of the full polarization switching pathways for HfO₂ and its implications.

ABSTRACT: The discovery of ferroelectric phases in HfO₂ offers insights into ferroelectricity. Its unique fluorite structure and complex polarization switching pathways exhibit distinct characteristics, challenging conventional analysis methods. Combining group theory and first-principles calculations, we identify numerous unconventional electric polarization switching pathways in HfO₂ with energy barriers of 0.32 to 0.57 eV as a function of the different shift in the suboxygen lattices. In total, we identify 47 switching pathways for the orthorhombic phase, corresponding to the left cosets of the [Formula: see text] group with [Formula: see text] group. Contrary to the conception that the tetracoordinated oxygen (O_IV) layers are inactive, our result demonstrates tha

SUBMITTER: Hu Q 

PROVIDER: S-EPMC11848308 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature