Ferroelectric Chirality-Driven Direction-Tunable and Spin-Invertible Corner States in 2D MOF-Based Magnetic Second-Order Topological Insulators

Abstract: Despite the rapid progress in predicting 2D magnetic second-order topological insulators (SOTIs), effective strategies for manipulating their spin-polarized corner states remain largely unexplored. The interplay between ferroelectricity, chirality, magnetism, and topology presents an untapped opportunity for controlling these corner states. Here, we propose a novel approach for tuning spin-polarized corner states in 2D magnetic SOTIs by inducing ferroelectric chirality in 2D metal-organic frameworks (MOFs) with intrinsic structural flexibility. Through symmetry analysis, we strategically replace pyrazine (pyz) ligands with 2-pyrazinolate (2-pyzol) ligands in the 2D MOF Cr(pyz)2, leading to the emergence of a new 2D magnetic SOTI, Cr(2-pyzol)2, which facilitates ferroelectric chirality controlled spin-polarized corner states in both spin channels. Through first-principle calculations, we demonstrate that Cr(2-pyzol)2 belongs to ferroelectric chiral systems, and its corner states can be directionally tuned in real space and spin-inverted in spin space upon ferroelectric chirality switching. Our work represents the first attempt to simultaneously manipulate corner states in both real space and spin space, offering a new strategy for integrating ferroelectric chirality into 2D MOF-based magnetic SOTIs.