Dynamic charge correlations near the Peierls transition

TL;DR

This study investigates the quantum phase transition from a Luttinger liquid to a Peierls insulator in a one-dimensional model, revealing how charge and phonon modes evolve and hybridize, with implications for polaron dynamics.

Contribution

It provides a detailed quantum Monte Carlo analysis of charge correlations and spectral functions near the Peierls transition, including phonon softening and polaron behavior.

Findings

Charge gap emerges with increasing electron-phonon coupling.

Phonon softening observed at the zone boundary.

Polaron bands form and acquire a gap in the Peierls phase.

Abstract

The quantum phase transition between a repulsive Luttinger liquid and an insulating Peierls state is studied in the framework of the one-dimensional spinless Holstein model. We focus on the adiabatic regime but include the full quantum dynamics of the phonons. Using continuous-time quantum Monte Carlo simulations, we track in particular the dynamic charge structure factor and the single-particle spectrum across the transition. With increasing electron-phonon coupling, the dynamic charge structure factor reveals the emergence of a charge gap, and a clear signature of phonon softening at the zone boundary. The single-particle spectral function evolves continuously across the transition. Hybridization of the charge and phonon modes of the Luttinger liquid description leads to two modes, one of which corresponds to the coherent polaron band. This band acquires a gap upon entering the Peierls phase, whereas the other mode constitutes the incoherent, high-energy spectrum with backfolded shadow bands. Coherent polaronic motion is a direct consequence of quantum lattice fluctuations. In the strong-coupling regime, the spectrum is described by the static, mean-field limit. Importantly, whereas finite electron density in general leads to screening of polaron effects, the latter reappear at half filling due to charge ordering and lattice dimerization.