One-dimensional Repulsive Hubbard Model Research Articles

Exact results of the one-dimensional repulsive Hubbard model

We present analytical results of the fundamental properties of the one-dimensional (1D) Hubbard model with a repulsive interaction. The new model results with arbitrary external fields include: (I) using the exact solutions of the Bethe ansatz equations of the Hubbard model, we first rigorously calculate the gapless spin and charge excitations, exhibiting exotic features of fractionalized spinons and holons. We then investigate the gapped excitations in terms of the spin string and thek-Λstring bound states at arbitrary driving fields, showing subtle differences in spin magnons and chargeη-pair excitations. (II) For a high-density and high spin magnetization region, i.e. near the quadruple critical point, we further analytically obtain the thermodynamic properties, dimensionless ratios and scaling functions near quantum phase transitions. (III) Importantly, we give the general scaling functions at quantum criticality for arbitrary filling and interaction strength. These can directly apply to other integrable models. (IV) Based on the fractional excitations and the scaling laws, the spin-incoherent Luttinger liquid (SILL) with only the charge propagation mode is elucidated by the asymptotic of the two-point correlation functions with the help of conformal field theory. We also, for the first time, obtain the analytical results of the thermodynamics for the SILL. (V) Finally, to capture deeper insights into the Mott insulator and interaction-driven criticality, we further study the double occupancy and propose its associated contact and contact susceptibilities, through which an adiabatic cooling scheme based upon quantum criticality is proposed. In this scenario, we build up general relations among arbitrary external- and internal-potential-driven quantum phase transitions, providing a comprehensive understanding of quantum criticality. Our methods offer rich perspectives of quantum integrability and offer promising guidance for future experiments with interacting electrons and ultracold atoms, both with and without a lattice.

One-dimensional repulsive Hubbard model with mass imbalance: Orders and filling anomaly

We investigate the phase diagram of the one-dimensional repulsive Hubbard model with mass imbalance. Using DMRG, we show that this model has a "triplet" paired phase (dubbed $\pi \mathrm{SG}$) at generic fillings, consistent with previous theoretical analysis. We study the topological aspect of $\pi \mathrm{SG}$ phase, determining long-range string orders and the filling anomaly which refers to the relation among the single particle gap, inversion symmetry, and filling imbalance for open chains. We also find, using DMRG, that at $1/3$ filling, commensurate effects lead to two additional phases: a crystal phase and a trion phase; we construct a description of these phases using Tomonaga-Luttinger liquid theory.

Finite-temperature charge transport in the one-dimensional Hubbard model

We study the charge conductivity of the one-dimensional repulsive Hubbard model at finite temperature using the method of dynamical quantum typicality, focusing at half filling. This numerical approach allows us to obtain current autocorrelation functions from systems with as many as 18 sites, way beyond the range of standard exact diagonalization. Our data clearly suggest that the charge Drude weight vanishes with a power law as a function of system size. The low-frequency dependence of the conductivity is consistent with a finite dc value and thus with diffusion, despite large finite-size effects. Furthermore, we consider the mass-imbalanced Hubbard model for which the charge Drude weight decays exponentially with system size, as expected for a non-integrable model. We analyze the conductivity and diffusion constant as a function of the mass imbalance and we observe that the conductivity of the lighter component decreases exponentially fast with the mass-imbalance ratio. While in the extreme limit of immobile heavy particles, the Falicov-Kimball model, there is an effective Anderson-localization mechanism leading to a vanishing conductivity of the lighter species, we resolve finite conductivities for an inverse mass ratio of $\eta \gtrsim 0.25$.

Real-time dynamics in the one-dimensional Hubbard model

We consider single-particle properties in the one-dimensional repulsive Hubbard model at commensurate fillings in the metallic phase. We determine the real-time evolution of the retarded Green's function by matrix-product state methods. We find that at sufficiently late times the numerical results are in good agreement with predictions of nonlinear Luttinger liquid theory. We argue that combining the two methods provides a way of determining the single-particle spectral function with very high frequency resolution.

Simple parameterization for the ground-state energy of the infinite Hubbard chain incorporating Mott physics, spin-dependent phenomena and spatial inhomogeneity

Simple analytical parameterizations for the ground-state energy of the one-dimensional repulsive Hubbard model are developed. The charge dependence of energy is parameterized using exact results extracted from the Bethe-ansatz (BA). The resulting parameterization is shown to be in better agreement with highly precise data obtained from a fully numerical solution to the BA equations than previous expressions (Lima et al 2003 Phys. Rev. Lett.90 146402). Unlike these earlier proposals, the present parameterization correctly predicts a positive Mott gap at half filling for any U > 0. The construction is extended to spin-dependent phenomena by parameterizing the magnetization dependence of the ground-state energy using further exact results and numerical benchmarking. Lastly, the parameterizations developed for the spatially uniform model are extended by means of a simple local-density-type approximation to spatially inhomogeneous models, e.g. in the presence of impurities, external fields or trapping potentials. The results are shown to be in excellent agreement with independent many-body calculations, at a fraction of the computational cost.

Persistent current and Drude weight for the one-dimensional Hubbard model from current lattice density functional theory

The Bethe ansatz local density approximation (LDA) to lattice density functional theory (LDFT) for the one-dimensional repulsive Hubbard model is extended to current-LDFT (CLDFT). The transport properties of mesoscopic Hubbard rings threaded by a magnetic flux are then systematically investigated by this scheme. In particular we present calculations of ground state energies, persistent currents and Drude weights for both a repulsive homogeneous and a single impurity Hubbard model. Our results for the ground state energies in the metallic phase compare favorably well with those obtained with numerically accurate many-body techniques. Also the dependence of the persistent currents on the Coulomb and the impurity interaction strength, and on the ring size are all well captured by LDA-CLDFT. Our study demonstrates the value of CLDFT in describing the transport properties of one-dimensional correlated electron systems. As its computational overheads are rather modest, we propose this method as a tool for studying problems where both disorder and interaction are present.

Mesoscopic BCS pairing in the repulsive one-dimensional Hubbard model

We study mesoscopic pairing in the one-dimensional repulsive Hubbard model and its interplay with the BCS model in the canonical ensemble. The key tool is comparing the Bethe ansatz equations of the two models in the limit of small Coulomb repulsion. For the ordinary Hubbard interaction the BCS Bethe equations with infinite pairing coupling are recovered; a finite pairing is obtained by considering a further density-dependent phase-correlation in the hopping amplitude of the Hubbard model. We find that spin degrees of freedom in the Hubbard ground state are arranged in a state of the BCS type, where the Cooper pairs form a noncondensed liquid on a ``lattice'' of single particle energies provided by the Hubbard charge degrees of freedom; the condensation in the BCS ground state corresponds to Hubbard excitations constituted by a sea of spin singlets.

EXACT AND SELF-CONSISTENT RESULTS IN ONE-DIMENSIONAL REPULSIVE HUBBARD MODEL

The shortcomings and advantages of the generalized self-consistent field (GSCF) approach, which includes the electron–hole order parameter [Formula: see text] and the average spin s within the one-dimensional repulsive Hubbard model, are analyzed by comparison of the ground state properties with the corresponding Bethe ansatz results in an entire parameter space of interaction strength U/t ≥ 0, magnetic field h ≥ 0 and electron concentration 0 ≤ n ≤ 1. The GSCF spectral characteristics are derived and criteria are found for the stability of incommensurate magnetic phase with the wave number 0 < q < π. The GSCF theory displays a simple relationship for the double occupancy D(+) in terms of n, s and [Formula: see text], where D(+) underestimates electron correlations at weak and intermediate ranges and overestimates correlations at large interaction strengths. Beyond some critical U/t and n≠1 the GSCF D(+) for spatially homogeneous state vanishes, while the exact D for all n at h=0 decreases gradually as U/t increases. At n ≠ 1 the GSCF chemical potential μ(+) overestimates electron correlations everywhere and variation μ(+)versusn displays electron instability toward the phase separation in the vicinity of n=1. Exactly at n=1 the GSCF μ(+)versusU/t always underestimates electron correlation and as U/t → ∞ at h=0 we have μ(+) → 0, while the Bethe ansatz result gives μ → 2t. In the limiting cases U/t → 0 and U/t → ∞ for all h ≥ 0 and 0 ≤ n ≤ 1 the GSCF ground state energy is exact, which is necessary for formulation of converging perturbation procedure about mean field solution in the entire parameter space.

Phase Diagram and Magnetic Correlations in One-Dimensional Repulsive Hubbard Model with Magnetic Field

The generalized self-consistent field (GSCF) theory for the one-dimensional repulsive Hubbard model at half-filling is examined in the presence of magnetic field h in wide range of interaction strength U / t . The evolution of the energy gap in the presence of magnetc field describes a magnetic crossover from itinerant magnetism of weakly bound electron-hole pairs with k F =π/2 to the localized magnetic regime, with the Bose condensation of local electron-hole pairs ( k F =0).

How Localized is an Extended Quantum System?

We elaborate on a geometric characterization of the electromagnetic properties of matter. A fundamental complex quantity, zL, is introduced to study the localization properties of extended quantum systems. zL, which allows us to discriminate between conducting and non-conducting thermodynamic phases, has an illuminating physical (and geometric) interpretation. Its phase can be related to the expectation value of the position operator (and a Berry phase), while its modulus is associated with quantum electric polarization fluctuations (and a quantum metric). We also study the scaling behavior of zL in the one-dimensional repulsive Hubbard model.

How Localized is an Extended Quantum System?

We elaborate on a geometric characterization of the electromagnetic properties of matter. A fundamental complex quantity, z_{L}, is introduced to study the localization properties of extended quantum systems. z_L, which allows us to discriminate between conducting and non-conducting thermodynamic phases, has an illuminating physical (and geometric) interpretation. Its phase can be related to the expectation value of the position operator (and a Berry phase), while its modulus is associated with quantum electric polarization fluctuations (and a quantum metric). We also study the scaling behavior of z_L in the one-dimensional repulsive Hubbard model.

Wave function in the strong coupling limit of the Hubbard open chain

The one-dimensional repulsive Hubbard model with infinitely strong interactions is studied under the open boundary condition. The ground-state wave function of the present model is derived based on the Bethe ansatz method. Using the wave functions thus obtained, the Friedel oscillations in the Hubbard open chain are discussed.

Density-matrix renormalization-group study of the spin gap in a one-dimensional Hubbard model: Effect of the distant transfer and exchange coupling

The spin gap of a one-dimensional repulsive Hubbard model is numerically calculated with the density matrix renormalization group, with a special emphasis on the effect of a next-nearest neighbor hopping (t') and the nearest-neighbor ferromagnetic exchange (J) interaction. At half-filling, a significant spin gap opens if |t'| \simeq |t| and J=0, in agreement with the weak coupling theory, while the gap is strongly suppressed by the introduction of J. On the other hand, the quarter-filled system has very small spin gaps regardless of the values of t' and J. Implications for the CuO_2 chain in Sr_{14}Cu_{24}O_{41} and related materials are discussed.

Loop algorithms for quantum simulations of fermion models on lattices.

Two cluster algorithms, based on constructing and flipping loops, are presented for worldline quantum Monte Carlo simulations of fermions and are tested on the one-dimensional repulsive Hubbard model. We call these algorithms the loop-flip and loop-exchange algorithms. For these two algorithms and the standard worldline algorithm, we calculated the autocorrelation times for various physical quantities and found that the ordinary worldline algorithm, which uses only local moves, suffers from very long correlation times that makes not only the estimate of the error difficult but also the estimate of the average values themselves difficult. These difficulties are especially severe in the low-temperature, large-$U$ regime. In contrast, we find that new algorithms, when used alone or in combinations with themselves and the standard algorithm, can have significantly smaller autocorrelation times, in some cases being smaller by three orders of magnitude. The new algorithms, which use non-local moves, are discussed from the point of view of a general prescription for developing cluster algorithms. The loop-flip algorithm is also shown to be ergodic and to belong to the grand canonical ensemble. Extensions to other models and higher dimensions is briefly discussed.

Luttinger anomaly exponent of momentum distribution in the Hubbard chain

The exponent θ of the power-law anomaly for the momentum distribution in the one-dimensional repulsive Hubbard model is calculated by the Bethe ansatz method. We express the exponent of the 4 k F oscillation part of the asymptotic density correlator in terms of the fractional charge of the massless holon excitation. The exponent θ is then obtained assuming the scaling law based on the Luttinger liquid nature of the system. For U→∞ and 0, the present formulation reproduces the correct values θ→ 1 8 and 0, respectively, for any filling. Furthermore our results agree nicely with the Monte Carlo calculation for finite Coulomb interaction. We explicitly show that near half-filling θ takes the value close to 1 8 as long as the Hubbard gap exists.

Asymptotic spin-spin correlations of the U-->

The large-distance behavior of the spin-spin correlation function of the one-dimensional repulsive Hubbard model is evaluated analytically in the strong-coupling regime at quarter filling. In this case, its power-law decay is characterized by an exponent \ensuremath{\gamma}=3/2. We have found that this behavior is generally valid at any nonzero doping, although our argument is not mathematically rigorous away from quarter filling. These results strongly suggest that the renormalization-group scaling to the Tomonaga-Luttinger model is exact in the U\ensuremath{\rightarrow}\ensuremath{\infty} Hubbard model.