Quantum lattice fluctuations in the one-dimensional Peierls-Hubbard model.

Abstract

The effect of quantum lattice fluctuations is investigated in a half-filled one-dimensional Peierls-Hubbard model. The nonadiabatic effects due to finite phonon frequency \ensuremath{\omega} are treated by introducing the polaronic transformation and the squeezed-phonon state. The electronic correlations are treated by means of a modified Gutzwiller approach and a unified description for the long-range charge-density-wave (CDW) ordering state and the short-range antiferromagnetic correlated state has been developed. The main result is a rather good description of the continuous variation of the dimerization as functions of the Hubbard U and \ensuremath{\omega} is given, which is in good agreement with that of the numerical simulations. The results of the squeezed-polaron theory are shown to be better than those of the ordinary polaron theory. A continuous phase transition is found between the long-range CDW ordering state and the short-range antiferromagnetic correlated state with a transition point different from the prediction of the Hartree-Fock decoupling. The effect of quantum lattice fluctuations on the transition point is also discussed.