Prediction of metal-free Stoner and Mott-Hubbard magnetism in triangulene-based two-dimensional polymers.

ABSTRACT: Ferromagnetism and antiferromagnetism require robust long-range magnetic ordering, which typically involves strongly interacting spins localized at transition metal atoms. However, in metal-free systems, the spin orbitals are largely delocalized, and weak coupling between the spins in the lattice hampers long-range ordering. Metal-free magnetism is of fundamental interest to physical sciences, unlocking unprecedented dimensions for strongly correlated materials and biocompatible magnets. Here, we present a strategy to achieve strong coupling between spin centers of planar radical monomers in π-conjugated two-dimensional (2D) polymers and rationally control the orderings. If the π-states in these triangulene-based 2D polymers are half-occupied, then we predict that they are antiferromagneti

SUBMITTER: Yu H 

PROVIDER: S-EPMC12697527 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature