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arXiv:cond-mat/0505710 · Physical Review B

From Luttinger liquid to Mott insulator: The correct low-energy description of the one-dimensional Hubbard model by an unbiased variational approach

Manuela Capello, Federico Becca, Seiji Yunoki, Michele Fabrizio, Sandro Sorella

Published Aug 16, 2005• 17 citations
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Abstract

We show that a particular class of variational wave functions reproduces the low-energy properties of the Hubbard model in one dimension. Our approach generalizes to finite on-site Coulomb repulsion the fully projected wave function proposed by Hellberg and Mele [Phys. Rev. Lett. 67, 2080 (1991)] for describing the Luttinger-liquid behavior of the doped $t\ensuremath{-}J$ model. Within our approach, the long-range Jastrow factor emerges from a careful minimization of the energy, without assuming any parametric form for the long-distance tail. Specifically, in the conducting phase of the Hubbard model at finite hole doping, we obtain the correct power-law behavior of the correlations, with the exponents predicted by the Tomonaga-Luttinger theory. By decreasing the doping, the insulating phase is reached with a continuous change of the small-$q$ part of the Jastrow factor.

DOI
10.1103/physrevb.72.085121

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We show that a particular class of variational wave functions reproduces the low-energy properties of the Hubbard model in one dimension. Our approach generalizes to finite on-site Coulomb repulsion the fully projected wave function proposed by Hellberg and Mele [Phys. Rev. Lett. 67, 2080 (1991)] for describing the Luttinger-liquid behavior of the doped t\ensuremath−Jt\ensuremath{-}Jt\ensuremath−J model. Within our approach, the long-range Jastrow factor emerges from a careful minimization of the energy, without assuming any parametric form for the long-distance tail. Specifically, in the conducting phase of the Hubbard model at finite hole doping, we obtain the correct power-law behavior of the correlations, with the exponents predicted by the Tomonaga-Luttinger theory. By decreasing the doping, the insulating phase is reached with a continuous change of the small-qqq part of the Jastrow factor.
The Gutzwiller wave function for a strongly correlated model can, if supplemented with a long-range Jastrow factor, provide a proper variational description of Mott insulators, so far unavailable. We demonstrate this concept in the prototypical one-dimensional t-t(') Hubbard model, where at half-filling we reproduce all known phases, namely, the ordinary Mott undimerized insulator with power-law spin correlations at small t(')/t, the spin-gapped metal above a critical t(')/t and small U, and the dimerized Mott insulator at large repulsion.
The one-dimensional (1D) t-J model is investigated by using a Gutzwiller-Jastrow-type variation method and the exact diagonalization of small systems. Variational expectation values are estimated by the variational Monte Carlo method with sufficient accuracy. First, we give detailed descriptions of the preceding paper [Phys. Rev. Lett. 67, 3610 (1991)], where we discussed the properties of the Fermi-liquid-type Jastrow wave function as well as the Gutzwiller wave function. Secondly, these wave functions are compared with the Tomonaga-Luttinger-liquid-type wave function proposed by Hellberg and Mele. It is found that the correlation factors in short distances control bulk quantities like energy and the magnitude of the correlation functions, while the long-range part of the correlation factors determines the critical behavior of correlation functions. Finally, using these functions, charge, spin susceptibilities, and magnetization curve are estimated, which agree with the exact results. It is shown that the Mott transition in the 1D t-J model is quite different from the Brinkman-Rice transition. \textcopyright{} 1996 The American Physical Society.
We present very general techniques for investigating strongly correlated lattice fermions in one dimension. We derive a variational wave function with a long ranged Jastrow factor that automatically satisfies the no double occupancy constraint present in many model Hamiltonians. The wave function is shown to be a generalized Luttinger liquid, and we use it to estimate ground state properties of the strongly correlated Hubbard model and the t-J model. We develop a numerical method to project the ground state from an arbitrary trial state. With the Luttinger liquid wave function as the initial guess, we calculate the exact ground state phase diagram of the t-J model. We discover a new phase in the model where Luttinger liquid behavior breaks down and superconducting correlations dominate the long range behavior of the system.
The one-dimensional t-J model is investigated by the variational Monte Carlo method. A variational wave function based on the Bethe-ansatz solution is proposed, where the spin-charge separation is realized and a long-range correlation factor of Jastrow-type is included. In most regions of the phase diagram, this wave function provides an excellent description of the ground-state properties characterized as a Tomonaga-Luttinger liquid; both the amplitude and exponent of correlation functions are correctly reproduced. For the spin-gap phase, another trial state of correlated singlet pairs with a Jastrow factor is introduced. This wave function shows generalized Luther-Emery-liquid behavior, exhibiting enhanced superconducting correlations and exponential decay of the spin correlation function. Using these two variational wave functions, the whole phase diagram is determined. In addition, relations between the correlation exponent and variational parameters in the trial functions are derived. \textcopyright{} 1996 The American Physical Society.
The interplay between electron-electron and electron-phonon interactions is studied in a one-dimensional lattice model by means of a variational Monte Carlo method based on generalized Jastrow-Slater wave functions. Here, the fermionic part is constructed by a pair-product state, which explicitly depends on the phonon configuration, thus including the electron-phonon coupling in a backflow-inspired way. We report the results for the Hubbard model in the presence of the Su-Schrieffer-Heeger coupling to optical phonons, both at half filling and upon hole doping. At half filling, the ground state is either a translationally invariant Mott insulator, with gapless spin excitations, or a Peierls insulator, which breaks translations and has fully gapped excitations. Away from half filling, the charge gap closes in both Mott and Peierls insulators, turning the former into a conventional Luttinger liquid (gapless in all excitation channels). In the latter case, instead, a finite spin gap remains at small doping. Even though consistent with the general theory of interacting electrons in one dimension, the existence of such a phase (with gapless charge but gapped spin excitations) has never been demonstrated in a model with repulsive interaction and with only two Fermi points. Since the spin-gapped metal represents the one-dimensional counterpart of a superconductor, our results furnish evidence that a true off-diagonal long-range order may exist in the two-dimensional case.
We study variationally the possible occurrence of a Luttinger liquid in the normal state of the 2D t-J model. For this, we generalize to 2D a Luttinger-Jastrow-Gutzwiller-type wave function introduced by Hellberg and Mele for the 1D t-J model. We show that this wave function does show also in 2D the characteristic correlations of a Luttinger liquid and the gains in kinetic energy stabilize the Luttinger liquid state with respect to Fermi liquid states with short-range correlations only. In addition, we provide rigorous lower bounds to the transition to the fully phase separated state at larger ratios J/t.