Electron-Phonon and Exchange Interactions in the One-Dimensional π - d Electron Systems

Abstract

A new model Hamiltonian is proposed for the suggestion of new one-dimensional (1D) π-d electron systems. The effects of the π-electron phonon interaction λ and the antiferromagnetic exchange interaction between nearest-neighbor π and d electrons, j _K, on the electronic states of these systems have been investigated. The case of a half-filled band has been studied by using a mean-field approximation and periodic boundary conditions. As the value of λ (j _K) is increased, the spin density and the energy gap of the π electron decrease (increase), while the dimerization increases (are almost constant). It turns out that the electron-phonon and exchange interactions are very important for the control of the electronic properties of the 1D π-d electron systems.