Phase diagram of one-dimensional electron-phonon systems. I. The Su-Schrieffer-Heeger model

Abstract

We study the nature of the ground state of the Su-Schrieffer-Heeger model for electron-phonon interactions in one dimension in the half-filled-band case. We consider the cases of spinless electrons ($n=1\mathrm{}$) and spin-½ electrons ($n=2\mathrm{}$), and discuss the stability of the Peierls-dimerized ground state as a function of the ionic mass and electron-phonon coupling constant. We first consider the zero-mass limit of the theory and extend our results to finite mass using renormalization-group arguments. For spinless electrons, it is found that quantum fluctuations destroy the long-range dimerization order for the small electron-phonon coupling constant if the ionic mass is finite. For spin-½ electrons, the system is dimerized for an arbitrary coupling constant and phonon frequency. Renormalization-group trajectories show that the low-energy behavior of the system is governed by the zero-mass limit of the theory, an $n$-component Gross-Neveu model. Monte Carlo simulations are performed for the model at finite phonon frequencies, and the results are compared with the static limit result. We study in particular the set of parameters appropriate for polyacetylene and find a 15% reduction in the phonon order parameter due to fluctuations of the phonon field. A finite-size scaling analysis of the numerical data for the cases $n=1\mathrm{} \mathrm{and} 2$ is performed, which confirms the results obtained from the renormalization-group analysis.