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arXiv:0902.4139 · Physical Review B

Charge and spin Drude weight of the one-dimensional extended Hubbard model at quarter filling

Tomonori Shirakawa, Eric Jeckelmann

Published May 22, 2009• 17 citations
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Abstract

We calculate the charge and spin Drude weight of the one-dimensional extended Hubbard model with on-site repulsion $U$ and nearest-neighbor repulsion $V$ at quarter filling using the density-matrix renormalization-group method combined with a variational principle. Our numerical results for the Hubbard model $(V=0)$ agree with exact results obtained from the Bethe ansatz solution. We obtain the contour map for both Drude weights in the $UV$-parameter space for repulsive interactions. We find that the charge Drude weight is discontinuous across the Kosterlitz-Thouless transition between the Luttinger liquid and the charge-density-wave insulator, while the spin Drude weight varies smoothly and remains finite in both phases. Our results can be generally understood using bosonization and renormalization-group results. The finite-size scaling of the charge Drude weight is well fitted by a polynomial function of the inverse system size in the metallic region. In the insulating region, we find an exponential decay of the finite-size corrections with the system size and a universal relation between the charge gap ${\ensuremath{\Delta}}_{c}$ and the correlation length $\ensuremath{\xi}$ which controls this exponential decay.

DOI
10.1103/physrevb.79.195121

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We calculate the charge and spin Drude weight of the one-dimensional extended Hubbard model with on-site repulsion UUU and nearest-neighbor repulsion VVV at quarter filling using the density-matrix renormalization-group method combined with a variational principle. Our numerical results for the Hubbard model (V=0)(V=0)(V=0) agree with exact results obtained from the Bethe ansatz solution. We obtain the contour map for both Drude weights in the UVUVUV-parameter space for repulsive interactions. We find that the charge Drude weight is discontinuous across the Kosterlitz-Thouless transition between the Luttinger liquid and the charge-density-wave insulator, while the spin Drude weight varies smoothly and remains finite in both phases. Our results can be generally understood using bosonization and renormalization-group results. The finite-size scaling of the charge Drude weight is well fitted by a polynomial function of the inverse system size in the metallic region. In the insulating region, we find an exponential decay of the finite-size corrections with the system size and a universal relation between the charge gap \ensuremathΔc{\ensuremath{\Delta}}_{c}\ensuremathΔc​ and the correlation length \ensuremathξ\ensuremath{\xi}\ensuremathξ which controls this exponential decay.
We investigate nonlinear Drude weights (NLDWs) in the one-dimensional repulsive Hubbard model at zero temperature by combining exact Bethe-ansatz calculations with low-energy effective field theory. At quarter filling, we first derive the strong-coupling expansion of the NLDWs and confirm it numerically over a wide range of interaction strength. We then compare the numerical results with the prediction of the Tomonaga-Luttinger liquid (TLL) description including irrelevant perturbations. While band-curvature corrections yield finite contributions to higher-order NLDWs, the Umklapp interaction predicts divergent NLDWs when the order nnn of the Drude weight exceeds a threshold determined by the TLL parameter. In contrast, finite-size scaling of the exact Bethe-ansatz results indicates that all calculated NLDWs remain finite in the thermodynamic limit, revealing a discrepancy between the exact results and the predictions of the low-energy effective field theory. At half filling, we analyze the finite-size scaling of the NLDWs across the Mott metal-insulator transition. We derive their asymptotic behavior in the insulating phase and propose a hyperscaling ansatz for NLDWs near the critical point, which is verified numerically. Our results clarify the interaction dependence and critical scaling of nonlinear transport coefficients in the one-dimensional Hubbard model and highlight limitations of the conventional low-energy effective description for higher-order transport.
We examine the density-density correlation function in the Tomonaga-Luttinger liquid state for the one-dimensional extended Hubbard model with the on-site Coulomb repulsion UUU and the intersite repulsion VVV at quarter filling. By taking into account the effect of the marginally irrelevant umklapp scattering operator based on the bosonization and renormalization-group methods, we obtain the generalized analytical form of the correlation function. We show that, in the proximity to the gapped charge-ordered phase, the correlation function exhibits anomalous crossover between the pure power-law behavior and the power-law behavior with logarithmic corrections, depending on the length scale. Such a crossover is also confirmed by the highly accurate numerical density-matrix renormalization-group method.
We propose a different combined approach, which consists of the exact diagonalization, renormalization group, and Bethe ansatz methods, for precise estimates of the charge gap $\ensuremath{\Delta}$ in the one-dimensional extended Hubbard model, with on-site and nearest-neighbor interactions UUU and VVV at quarter filling. This approach enables us to obtain the absolute value of $\ensuremath{\Delta}$, including the prefactor, without ambiguity even in the critical regime of the metal-insulator transition (MIT) where $\ensuremath{\Delta}$ is exponentially small, beyond usual renormalization group methods and/or finite-size scaling approaches. The detailed results of $\ensuremath{\Delta}$, down to the order of ${10}^{\ensuremath{-}10}$ near the MIT, are shown as contour lines on the $U\text{\ensuremath{-}}V$ plane.
We examine the critical behavior near the metal-insulator transition (MIT) in the one-dimensional extended Hubbard model with the on-site and the nearest-neighbor interactions UUU and VVV at quarter filling using a combined method of the numerical diagonalization and the renormalization group (RG). The Luttinger-liquid parameter ${K}_{\ensuremath{\rho}}$ is calculated with the exact diagonalization for finite size systems and is substituted into the RG equation as an initial condition to obtain ${K}_{\ensuremath{\rho}}$ in the infinite size system. This approach also yields the charge gap $\ensuremath{\Delta}$ in the insulating state near the MIT. The results agree very well with the available exact results for $U=\ensuremath{\infty}$ even in the critical regime of the MIT where the characteristic energy becomes exponentially small and the usual finite size scaling is not applicable. When the system approaches the MIT critical point $V\ensuremath{\rightarrow}{V}_{c}$ for a fixed UUU, ${K}_{\ensuremath{\rho}}$ and $\ensuremath{\Delta}$ behave as ${\ensuremath{\mid}\mathrm{l}\mathrm{n}\ensuremath{\Delta}\ensuremath{\mid}}^{\ensuremath{-}2}={c}_{\ensuremath{\Delta}}(V∕{V}_{c}\ensuremath{-}1)$ and ${({K}_{\ensuremath{\rho}}\ensuremath{-}1∕4)}^{2}={c}_{K}(1\ensuremath{-}V∕{V}_{c})$, where the critical value Vc{V}_{c}Vc​ and the coefficients ${c}_{\ensuremath{\Delta}}$ and cK{c}_{K}cK​ are functions of UUU. These critical properties, which are known to be exact for $U=\ensuremath{\infty}$, are observed also for finite UUU case. We also observe the same critical behavior in the limit of the MIT critical point $U\ensuremath{\rightarrow}{U}_{c}$ when UUU is varied for a fixed VVV.
We study finite-temperature transport properties of the one-dimensional Hubbard model using the density matrix renormalization group. Our aim is twofold: First, we compute both the charge- and the spin-current correlation function of the integrable model at half filling. The former decays rapidly, implying that the corresponding Drude weight is either zero or very small. Second, we calculate the optical charge conductivity ${\ensuremath{\sigma}}_{r}eg(\ensuremath{\omega})$ in the presence of small integrability-breaking next-nearest-neighbor interactions (the extended Hubbard model). The dc conductivity is finite and diverges as the temperature is decreased below the gap. Our results thus suggest that the half-filled, gapped Hubbard model is a normal charge conductor at finite temperatures. As a test bed for our numerics, we compute ${\ensuremath{\sigma}}_{r}eg(\ensuremath{\omega})$ for the integrable XXZ spin chain in its gapped phase.
We present a generalization of the recently proposed variational cluster perturbation theory to extended Hubbard models at half-filling with repulsive nearest neighbor interaction. The method takes into account short-range correlations correctly by the exact diagonalization of clusters of finite size, whereas long-range order beyond the size of the clusters is treated on a mean-field level. For one dimension, we show that quantum Monte Carlo and density-matrix renormalization-group results can be reproduced with very good accuracy. Moreover we apply the method to the two-dimensional extended Hubbard model on a square lattice. In contrast to the one-dimensional case, a first order phase transition between spin density wave phase and charge density wave phase is found as function of the nearest-neighbor interaction at onsite interactions $U\ensuremath{\geqslant}3t$. The single-particle spectral function is calculated for both the one-dimensional and the two-dimensional system.