材料期刊网

The effects of side radicals on the energy levels of pi-electrons and on the dimerization of main chain in quasi-one-dimensional organic polymer ferromagnets are studied. Allowing for full lattice relaxation, and considering the antiferromagnetic (AF) correlation between the pi-electron spin and the residual spin of unpaired electron at side radicals, a set of self-consistent iterative equations are established to study the system. The results of calculation show that: (1) the spin degeneration of energy levels of pi-electrons will be lifted; (2) with different electron-phonon coupling, this AF correlation always weakens the dimerization of the main chain.