Quantum-Geometric Origin of Out-of-Plane Stacking Ferroelectricity

Stacking ferroelectricity (SFE) has been discovered in a wide range of van der Waals materials and holds promise for applications, including photovoltaics and high-density memory devices. We show that the microscopic origin of out-of-plane stacking ferroelectric polarization can be generally understood as a consequence of a nontrivial Berry phase borne out of an effective Su-Schrieffer-Heeger model description with broken sublattice symmetry, thus elucidating the quantum-geometric origin of polarization in the extremely nonperiodic bilayer limit. Our theory applies to known stacking ferroelectrics such as bilayer transition-metal dichalcogenides in 3R and Td phases, as well as general AB-stacked honeycomb bilayers with staggered sublattice potential. Our explanatory and self-consistent framework based on the quantum-geometric perspective establishes quantitative understanding of out-of-plane SFE materials beyond symmetry principles.Received 1 September 2023Revised 16 November 2023Accepted 10 April 2024DOI:https://doi.org/10.1103/PhysRevLett.132.196801© 2024 American Physical SocietyPhysics Subject Headings (PhySH)