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arXiv:cond-mat/0308157 · Physical Review B

Ground-state phase diagram of the one-dimensional half-filled extended Hubbard model

Masahisa Tsuchiizu, Akira Furusaki

Published Jan 15, 2004• 78 citations
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Abstract

We revisit the ground-state phase diagram of the one-dimensional half-filled extended Hubbard model with on-site (U) and nearest-neighbor (V) repulsive interactions. In the first half of the paper, using the weak-coupling renormalization-group approach $(g$-ology) including second-order corrections to the coupling constants, we show that bond-charge-density-wave (BCDW) phase exists for $U\ensuremath{\approx}2V$ in between charge-density-wave (CDW) and spin-density-wave (SDW) phases. We find that the umklapp scattering of parallel-spin electrons disfavors the BCDW state and leads to a bicritical point where the CDW-BCDW and SDW-BCDW continuous-transition lines merge into the CDW-SDW first-order transition line. In the second half of the paper, we investigate the phase diagram of the extended Hubbard model with either additional staggered site potential $\ensuremath{\Delta}$ or bond alternation $\ensuremath{\delta}.$ Although the alternating site potential $\ensuremath{\Delta}$ strongly favors the CDW state (that is, a band insulator), the BCDW state is not destroyed completely and occupies a finite region in the phase diagram. Our result is a natural generalization of the work by Fabrizio, Gogolin, and Nersesyan [Phys. Rev. Lett. $83,$ 2014 (1999)], who predicted the existence of a spontaneously dimerized insulating state between a band insulator and a Mott insulator in the phase diagram of the ionic Hubbard model. The bond alternation $\ensuremath{\delta}$ destroys the SDW state and changes it into the BCDW state (or Peierls insulating state). As a result the phase diagram of the model with $\ensuremath{\delta}$ contains only a single critical line separating the Peierls insulator phase and the CDW phase. The addition of $\ensuremath{\Delta}$ or $\ensuremath{\delta}$ changes the universality class of the CDW-BCDW transition from the Gaussian transition into the Ising transition.

DOI
10.1103/physrevb.69.035103

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We revisit the ground-state phase diagram of the one-dimensional half-filled extended Hubbard model with on-site (U) and nearest-neighbor (V) repulsive interactions. In the first half of the paper, using the weak-coupling renormalization-group approach (g(g(g-ology) including second-order corrections to the coupling constants, we show that bond-charge-density-wave (BCDW) phase exists for U\ensuremath≈2VU\ensuremath{\approx}2VU\ensuremath≈2V in between charge-density-wave (CDW) and spin-density-wave (SDW) phases. We find that the umklapp scattering of parallel-spin electrons disfavors the BCDW state and leads to a bicritical point where the CDW-BCDW and SDW-BCDW continuous-transition lines merge into the CDW-SDW first-order transition line. In the second half of the paper, we investigate the phase diagram of the extended Hubbard model with either additional staggered site potential \ensuremathΔ\ensuremath{\Delta}\ensuremathΔ or bond alternation \ensuremathδ.\ensuremath{\delta}.\ensuremathδ. Although the alternating site potential \ensuremathΔ\ensuremath{\Delta}\ensuremathΔ strongly favors the CDW state (that is, a band insulator), the BCDW state is not destroyed completely and occupies a finite region in the phase diagram. Our result is a natural generalization of the work by Fabrizio, Gogolin, and Nersesyan [Phys. Rev. Lett. 83,83,83, 2014 (1999)], who predicted the existence of a spontaneously dimerized insulating state between a band insulator and a Mott insulator in the phase diagram of the ionic Hubbard model. The bond alternation \ensuremathδ\ensuremath{\delta}\ensuremathδ destroys the SDW state and changes it into the BCDW state (or Peierls insulating state). As a result the phase diagram of the model with \ensuremathδ\ensuremath{\delta}\ensuremathδ contains only a single critical line separating the Peierls insulator phase and the CDW phase. The addition of \ensuremathΔ\ensuremath{\Delta}\ensuremathΔ or \ensuremathδ\ensuremath{\delta}\ensuremathδ changes the universality class of the CDW-BCDW transition from the Gaussian transition into the Ising transition.
We reexamine the ground-state phase diagram of the one-dimensional half-filled Hubbard model with on-site and nearest-neighbor repulsive interactions. We calculate second-order corrections to coupling constants in the weak-coupling renormalization-group approach ( g-ology) to show that the bond-charge-density-wave (BCDW) phase exists for weak couplings in between the charge-density-wave (CDW) and spin-density-wave (SDW) phases. We find that the umklapp scattering of parallel-spin electrons destabilizes the BCDW state and gives rise to a bicritical point where the CDW-BCDW and SDW-BCDW continuous-transition lines merge into the CDW-SDW first-order transition line.
A one-dimensional model of interacting electrons with on-site U, nearest- neighbor V, and pair-hopping interaction W is studied at half-filling using the continuum limit field theory approach. The ground state phase diagram is obtained for a wide range of coupling constants. In addition to the insulating spin-density wave (SDW) and charge-density wave (CDW) phases for large U and V, respectively, we identify a bond-charge-density-wave (BCDW) phase W < 0, \U - 2V\ < \2W\ and a bond-spin-density-wave (BSDW) for W > 0, \U - 2V\ < W. The possibility of bond-located ordering results from the site-off-diagonal nature of the pair-hopping term and is a special feature of the half-filled band case. The BCDW phase corresponding to an enhanced Peierls instability in the system. The BdSDW is an unconventional insulating magnetic phase, characterized by a gapless spin excitation spectrum and a staggered magnetization located on bonds between sites. The general ground state phase diagram including insulating, metallic, and superconducting phases is discussed. A transition to the eta(pi) -superconducting phase at \U - 2V\ much less than 2t less than or equal to W is briefly discussed.
Phase diagrams of the one-dimensional extended Hubbard model (including nearest-neighbor interaction V)V)V) at half- and quarter-filling are studied by observing level crossings of excitation spectra using the exact diagonalization. This method is based on the Tomonaga-Luttinger liquid theory including logarithmic corrections which stem from the renormalization of the Umklapp- and the backward-scattering effects. Using this approach, the phase boundaries are determined with high accuracy, and then the structure of the phase diagram is clarified. At half-filling, the phase diagram consists of two Berezinskii-Kosterlitz-Thouless (BKT) transition lines and one Gaussian transition line in the charge sector, and one spin-gap transition line. This structure reflects the $\mathrm{U}(1)\ensuremath{\bigotimes}\mathrm{SU}(2)$ symmetry of the electron system. Near the U=2VU=2VU=2V line, the Gaussian and the spin-gap transitions take place independently from the weak- to the intermediate-coupling region, but these two transition lines are coupled in the strong-coupling region. This result demonstrates existence of a tricritical point and a bond-charge-density-wave (BCDW) phase between charge- and spin-density-wave (CDW, SDW) phases. To clarify this mechanism of the transition, we also investigate effect of a correlated hopping term, which plays a role to enlarge BCDW and bond-spin-density-wave (BSDW) phases. At quarter-filling, a similar crossover phenomenon also takes place in the large-VVV region involving spin-gap and BKT-type metal-insulator transitions.
We determine the ground-state phase diagram of the one-dimensional half-filled Hubbard model with on-site (nearest-neighbor) repulsive interaction U (V) and nearest-neighbor hopping t using the density-matrix renormalization group technique. Based on the results of the excitation gaps, Luttinger-liquid exponents, and bond-order-wave (BOW) order parameter, we confirm that the BOW phase appears in a substantial region between the charge-density-wave (CDW) and spin-density-wave phases. Each phase boundary is determined by multiple means and it allows us to make a cross-check on the validity of our estimations. We also find that the BOW-CDW transition changes from continuous to first order at the tricritical point (U(t),V(t)) approximately (5.89 t,3.10 t) and the BOW phase shrinks to zero at the critical end point (U(c),V(c)) approximately (9.25 t,4.76 t).
The density-matrix renormalization group is used to study the phase diagram of the one-dimensional half-filled Hubbard model with on-site (U) and nearest-neighbor (V) repulsion and hopping t. A critical line V(c)(U) approximately U/2 separates a Mott insulating phase from a charge-density-wave phase. The formation of bound charge excitations for V>2t changes the phase transition from continuous to first-order at a tricritical point U(t) approximately 3.7t, V(t)=2t. A frustrating effective antiferromagnetic spin coupling induces a bond-order-wave phase on the critical line V(c)(U) for U(t)<U less, similar 7t.
We have investigated the ground-state phase diagram of the one-dimensional Hubbard model with alternating chemical potentials at half-filling by bosonization technique and the Gaussian wave functional method. We calculate variations of the charge density wave (CDW) and the spin density wave (SDW) gaps, ad well as their classical trajectory c,s with increasing on-site Coulomb repoulsion potential. For the fixed potential, it is found that the transition from the band insulator (BI) to the spontaneously dimerized insulator (SDI) is of the Ising type, at which charge gap vanishes, while the transition from SDI to the Mott insulator (MI) is of the KT type.