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arXiv:0905.1214 · Europhysics Letters (EPL)

Luttinger parameters and momentum distribution function for the half-filled spinless fermion Holstein model: A DMRG approach

S. Ejima, H. Fehske

Published Jul 1, 2009• 36 citations
arXivHTMLPDF

Abstract

We reexamine the nature of the metallic phase of the one-dimensional half-filled Holstein model of spinless fermions. To this end, we determine the Tomonaga-Luttinger–liquid correlation parameter K ρ by large-scale density matrix renormalisation group (DMRG) calculations, exploiting i) the leading-order scaling relations between the ground-state energy and the single-particle excitation gap and ii) the static charge structure factor in the long-wavelength limit. While both approaches give almost identical results for intermediate-to-large phonon frequencies, we find contrasting behaviour in the adiabatic regime: i) K ρ >1 (attractive) vs. ii) K ρ < 1 (repulsive). The latter result for the correlation exponent is corroborated by data obtained for the momentum distribution function n ( k ), which puts the existence of an attractive metallic state in the spinless fermion Holstein model into question. We conclude that the scaling relation must be modified in the presence of electron-phonon interactions with noticeable retardation.

DOI
10.1209/0295-5075/87/27001

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We reexamine the nature of the metallic phase of the one-dimensional half-filled Holstein model of spinless fermions. To this end, we determine the Tomonaga-Luttinger–liquid correlation parameter K ρ by large-scale density matrix renormalisation group (DMRG) calculations, exploiting i) the leading-order scaling relations between the ground-state energy and the single-particle excitation gap and ii) the static charge structure factor in the long-wavelength limit. While both approaches give almost identical results for intermediate-to-large phonon frequencies, we find contrasting behaviour in the adiabatic regime: i) K ρ >1 (attractive) vs. ii) K ρ < 1 (repulsive). The latter result for the correlation exponent is corroborated by data obtained for the momentum distribution function n ( k ), which puts the existence of an attractive metallic state in the spinless fermion Holstein model into question. We conclude that the scaling relation must be modified in the presence of electron-phonon interactions with noticeable retardation.
The Holstein model of spinless fermions interacting with dispersionless phonons in one dimension is studied by a Green's function Monte Carlo technique. The ground-state energy, first fermionic excited state, density wave correlations, and mean lattice displacements are calculated for lattices of up to 16 sites, for one fermion per two sites, i.e., a half-filled band. Results are obtained for values of the fermion hopping parameter of t=0.1\ensuremath{\omega}, \ensuremath{\omega}, and 10\ensuremath{\omega}, where \ensuremath{\omega} is the phonon frequency. At a finite fermion-phonon coupling g there is a transition from a metallic phase to an insulating phase in which there is charge-density-wave order. Finite-size scaling is found to hold in the metallic phase and is used to extract the coupling dependence of the Luttinger liquid parameters, ${\mathit{u}}_{\mathrm{\ensuremath{\rho}}}$ and ${\mathit{K}}_{\mathrm{\ensuremath{\rho}}}$, the velocity of charge excitations, and the correlation exponent, respectively. For free fermions (g=0) and for strong coupling (g2{\mathit{g}}^{2}g2\ensuremath{\gg}t\ensuremath{\omega}) our results agree well with known analytic results. \textcopyright{} 1996 The American Physical Society.
The one-dimensional Holstein model and its generalizations have been studied extensively to understand the effects of electron-phonon interaction. The half-filled case is of particular interest, as it describes a transition from a metallic phase with a spin gap due to attractive backscattering to a Peierls insulator with charge-density-wave order. Our quantum Monte Carlo results support the existence of a metallic phase with dominant power-law charge correlations, as described by the Luther-Emery fixed point. We demonstrate that for Holstein and also for purely fermionic models the spin gap significantly complicates finite-size numerical studies, and explains inconsistent previous results for Luttinger parameters and phase boundaries. On the other hand, no such complications arise in spinless models. The correct low-energy theory of the spinful Holstein model is argued to be that of singlet bipolarons with a repulsive, mutual interaction. This picture naturally explains the existence of a metallic phase, but also implies that gapless Luttinger liquid theory is not applicable.
We re-examine the Peierls insulator to Mott insulator transition scenario in the one-dimensional Holstein-Hubbard model where, at half-filling, electron-phonon and electron-electron interactions compete for establishing charge- and spin-density-wave states, respectively. By means of large-scale density-matrix renormalization group calculations we determine the spin, single-particle and two-particle excitation gaps and prove —in the course of a careful finite-size scaling analysis— recent claims for an intervening metallic phase in the weak-coupling regime. We show that for large phonon frequencies the metallic region is even more extended than previously expected, and subdivided into ordinary Luttinger-liquid and bipolaronic-liquid phases.
For the one-dimensional Holstein model, we show that the relations among the scaling exponents of various correlation functions of the Tomonaga Luttinger liquid (LL), while valid in the thermodynamic limit, are significantly modified by finite-size corrections. We obtain analytical expressions for these corrections and find that they decrease very slowly with increasing system size. The interpretation of numerical data on finite-size lattices in terms of LL theory must therefore take these corrections into account. As an important example, we re-examine the proposed metallic phase of the zero-temperature, half-filled one-dimensional Holstein model without employing the LL relations. In particular, using quantum Monte Carlo calculations, we study the competition between the singlet pairing and charge ordering. Our results do not support the existence of a dominant singlet pairing state.
The one-dimensional Holstein model of spinless fermions interacting with dispersionless phonons is studied using a new variant of the density matrix renormalization group. By examining various low-energy excitations of finite chains, the metal-insulator phase boundary is determined precisely and agrees with the predictions of strong coupling theory in the antiadiabatic regime and is consistent with renormalization group arguments in the adiabatic regime. The Luttinger liquid parameters, determined by finite-size scaling, are consistent with a Kosterlitz-Thouless transition.
Electron- and phonon spectral functions of the one-dimensional, spinless-fermion Holstein model at half filling are calculated in the four distinct regimes of the phase diagram, corresponding to an attractive or repulsive Luttinger liquid at weak electron-phonon coupling, and a band- or polaronic insulator at strong coupling. The results obtained by means of kernel polynomial and systematic cluster approaches reveal substantially different physics in these regimes and further indicate that the size of the phonon frequency significantly affects the nature of the quantum Peierls phase transition, the latter being either of the soft-mode or central-peak type. The generic features observed are relevant to several classes of low-dimensional materials.