Spin Excitation Under Electron Delocalization of Side Radicals in Quasi-One-Dimensional Organic Ferromagnet
Spin excitation in poly(1,4-bis(2,2,6,6-tetramethyl-4-oxy-piperidyl-1-oxyl)-butadiin) (poly-BIPO), a quasi-one-dimensional organic ferromagnet, was investigated based on the extended Su–Schriffer–Heeger model by considering electron hopping and the spin correlation between the main chain and side radicals. The lattice, charge density, and spin density configurations of the single spin as well as spin domain excited states of the organic ferromagnet poly-BIPO were systematically studied. The side radical spin excitation gives rise to lattice distortion, charge density localization, and a spin density defect on the main chain. A peak induced by spin excitation is predicted to appear in the density of states of the organic ferromagnet poly-BIPO based on calculations for different spin electron states. These results expand knowledge on elementary excitation in organic materials and have significant implications for the design of spintronic devices.