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arXiv:cond-mat/9911385 · Physical review. B, Condensed matter

Phase diagram of the one-dimensional extended attractive Hubbard model for large nearest-neighbor repulsion

Armando A. Aligia

Published Mar 1, 2000• 4 citations
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Abstract

We consider the extended Hubbard model with attractive on-site interaction U and nearest-neighbor repulsions V. We construct an effective Hamiltonian ${H}_{\mathrm{eff}}$ for hopping $t\ensuremath{\ll}V$ and arbitrary $U<0.$ Retaining the most important terms, ${H}_{\mathrm{eff}}$ can be mapped onto two $\mathrm{XXZ}$ models, solved by the Bethe ansatz. The quantum phase diagram shows two Luttinger liquid phases and a region of phase separation between them. For density $n<0.422$ and $U<\ensuremath{-}4,$ singlet superconducting correlations dominate at large distances. For some parameters, the results are in qualitative agreement with experiments in ${\mathrm{Ba}}_{1\ensuremath{-}x}{\mathrm{K}}_{x}{\mathrm{BiO}}_{3}.$

DOI
10.1103/physrevb.61.7028

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Phase diagram of the extended Hubbard model with on-site repulsion and nearest-neighbor attraction is obtained for various band fillings, covering the strong-correlation regime, in one dimension by mapping the system to the Tomonaga-Luttinger model with use of exact diagonalization of finite systems. We find that the strong electron correlation makes the superconducting region, which is sandwiched between spin-density wave and phase-separation regions, significantly wider than expected from the weak-coupling g-ology.
We investigate numerically the ground state phase diagram of the one-dimensional extended Hubbard model, including an on-site interaction U and a nearest-neighbor interaction V. We focus on the ground state phases of the model in the $V\ensuremath{\gg}U$ region, where previous studies have suggested the possibility of dominant superconducting pairing fluctuations before the system phase separates at a critical value V=VPS.{V=V}_{\mathrm{PS}}.V=VPS​. Using quantum Monte Carlo methods on lattices much larger than in previous Lancz\"os diagonalization studies, we determine the boundary of phase separation, the Luttinger-liquid correlation exponent ${K}_{\ensuremath{\rho}},$ and other correlation functions in this region. We find that phase separation occurs for V significantly smaller than previously reported. In addition, for negative U, we find that a uniform state reenters from phase separation as the electron density is increased towards half filling. For V<VPS,V<{V}_{\mathrm{PS}},V<VPS​, our results show that superconducting fluctuations are not dominant. The system behaves asymptotically as a Luttinger liquid with ${K}_{\ensuremath{\rho}}<1,$ but we also find strong low-energy (but gapped) charge-density fluctuations at a momentum not expected for a standard Luttinger liquid.
We study the phase diagram of the one-dimensional U-V model at quarter filling in the most general case where the on-site and first-neighbor interactions U and V can be both attractive and repulsive. The results have been obtained using exact diagonalization of small clusters and variational techniques, as well as exact results in various limits. We have analyzed four properties of the ground state: (i) whether it is insulating or metallic; (ii) whether it is homogeneous or phase separated; (iii) whether it has a spin gap; (iv) whether it has dominant superconducting fluctuations. With eight phases, the resulting phase diagram is unexpectedly rich. The four phases not found in the weak coupling limit are: (i) an insulating phase when U and V are large enough; (ii) a region of phase separation when V is attractive; (iii) another region of phase separation when V is large enough and U small; (iv) a region with dominant superconducting fluctuations when V is intermediate and U small. The actual nature of this last plase, which has pairs but no spin gap, is not fully clear yet.
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).
We consider a modified extended Hubbard model (EHM) which, in addition to the on-site repulsion U and nearest-neighbor repulsion V, includes polarization effects in second-order perturbation theory. The model is equivalent to an EHM with renormalized U plus a next-nearest-neighbor repulsion term. Using a method based on topological quantum numbers (charge and spin Berry phases), we generalize to finite hopping t the quantum phase diagram in one dimension constructed by van den Brink et al. [Phys. Rev. Lett. 75, 4658 (1995)]. At hopping t=0t=0t=0 there are two charge density-wave phases, one spin density-wave phase, and one intermediate phase with charge and spin ordering, depending on the parameter values. At $t\ensuremath{\ne}0$ the nature of each phase is confirmed by studying correlation functions. However, in addition to the strong-coupling phases, a small region with bond ordering appears. The region occupied by the intermediate phase first increases and then decreases with increasing t, until it finally disappears for t of the order but larger than U. For small t, the topological transitions agree with the results of second-order perturbation theory.
Using quantum Monte Carlo simulations, results of a strong-coupling expansion, and Luttinger liquid theory, we determine quantitatively the ground state phase diagram of the one-dimensional extended Hubbard model with on-site and nearest-neighbor repulsions U and V. We show that spin frustration stabilizes a bond-ordered (dimerized) state for U approximately V/2 up to U/t approximately 9, where t is the nearest-neighbor hopping. The transition from the dimerized state to the staggered charge-density-wave state for large V/U is continuous for U < or approximately 5.5 and first order for higher U.