Multiscale analysis of large twist ferroelectricity and swirling dislocations in bilayer hexagonal boron nitride
This study establishes the crystallographic origins of ferroelectricity in heterodeformed bilayer hexagonal boron nitride across both small and large twist angles, revealing distinct polarization switching mechanisms involving swirling dislocations and introducing a novel density-functional-theory-informed continuum framework (BFIM) to accurately predict ferroelectric behavior in large-unit-cell heterostructures where traditional methods fail.