Theoretical design of organo-magnetic conducting crystal

Theoretical possibility of organo-ferromagnetic conductor with spin-polarized (D-R) donor is investigated and it is found that the intermolecular interaction between their donors largely depends on the stacking modes. Three possibilities of realizing ferromagnetic conducting crystal are presented and detailed theoretical calculations were carried out to confirm one of them. The result indicates that well-controlled stacking modes of donor lead to positive J ab .