Dynamic charge correlations near the Peierls transition

Details Dynamic charge correlations near the Peierls transition Dynamic charge correlations near the Peierls transition

2011-01-14

arxiv.org/abs/1101.2879v2

Phys. Rev. B 83, 115105 (2011)

Physics

Condensed Matter

Strongly Correlated Electrons

8 pages, 7 figures, final version

Scientific paper

10.1103/PhysRevB.83.115105

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.

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