Z. Fang et al., STUDIES OF THE FERROMAGNETIC STATE IN QUASI-ONE-DIMENSIONAL ORGANIC POLYMER FERROMAGNETS, Communications in Theoretical Physics, 24(4), 1995, pp. 391-396
The possible ferromagnetic ground state of pi-conjugated alternant hyd
rocarbon chains with unequal number of atoms on two sublattices is stu
died by the peierls-Hubbard model. Allowing for full lattice relaxatio
n, a set of self-consistent iterative equations are established to stu
dy this system. The stabilities of the possible ferromagnetic ground s
tates with respect to two kinds of unsymmetric site energies are also
studied. We find that the ground state of the system is a stable ferro
magnetic state as a result of the topological structure of the network
and the electron-electron interaction. And the unsymmetric site energ
ies, induced by substitutions, will severely weaken the stability of t
he ferromagnetic ground state.