A. Mishima, ELECTRON-PHONON AND EXCHANGE INTERACTIONS IN THE ONE-DIMENSIONAL PI-DELECTRON-SYSTEMS, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 285, 1996, pp. 645-650
A new model Hamiltonian is proposed for the suggestion of new one-dime
nsional (1D) pi-d electron systems. The effects of the pi-electron pho
non interaction lambda and the antiferromagnetic exchange interaction
between nearest-neighbor pi and d electrons, j(K), on the electronic s
tates of these systems have been investigated. The case of a half-fill
ed band has been studied by using a mean-field approximation and perio
dic boundary conditions. As the value of lambda (j(K)) is increased, t
he spin density and the energy gap of the pi electron decrease (increa
se), while the dimerization increases (are almost constant). It turns
out that the electron-phonon and exchange interactions are very import
ant for the control of the electronic properties of the 1D pi-d electr
on systems.