Wz. Wang et al., INTERCHAIN COUPLING MODEL FOR QUASI-ONE-DIMENSIONAL PI-CONJUGATED ORGANIC FERROMAGNETS, Physical review. B, Condensed matter, 55(19), 1997, pp. 12989-12994
Two neighboring pi-conjugated organic-polymer ferromagnetic chains are
described individually by a Hamiltonian, which is the Su-Schrieffer-H
eeger Hamiltonian added by the Hubbard electron-electron repulsion. In
consideration of the topological structure of the system, the interch
ain coupling is taken into account as an interchain electron-transfer
term, which is different with respect to different sites in chains. Th
e splitting of energy levels with respect to different chains, the fer
romagnetic order, and the dimerization are studied in detail. It is sh
own that in the high-spin ground state of the system, different config
urations with interchain coupling will result in transfer of spin dens
ity between the main chain and side radical, and appropriate coupling
strength stabilizes the high-spin ground state. However, as the coupli
ng reaches a critical value, the energy gap disappears and the high-sp
in state does not exist. It is also found that the dimerization along
the main chain varies with the interchain coupling.