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arXiv:cond-mat/0602511 · Journal of Physics A Mathematical and General

The one-dimensional Hubbard model with open ends: universal divergent contributions to the magnetic susceptibility

Michael Bortz, Jesko Sirker

Published May 23, 2006• 2 citations
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Abstract

The magnetic susceptibility of the one-dimensional Hubbard model with open boundary conditions at arbitrary filling is obtained from field theory at low temperatures and small magnetic fields, including leading and next-leading orders. Logarithmic contributions to the bulk part are identified as well as algebraic-logarithmic divergences in the boundary contribution. As a manifestation of spin-charge separation, the result for the boundary part at low energies turns out to be independent of filling and interaction strength and identical to the result for the Heisenberg model. For the bulk part at zero temperature, the scale in the logarithms is determined exactly from the Bethe ansatz. At finite temperature, the susceptibility profile as well as the Friedel oscillations in the magnetisation are obtained numerically from the density-matrix renormalisation group applied to transfer matrices. Agreement is found with an exact asymptotic expansion of the relevant correlation function.

DOI
10.1088/0305-4470/39/23/002

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The magnetic susceptibility of the one-dimensional Hubbard model with open boundary conditions at arbitrary filling is obtained from field theory at low temperatures and small magnetic fields, including leading and next-leading orders. Logarithmic contributions to the bulk part are identified as well as algebraic-logarithmic divergences in the boundary contribution. As a manifestation of spin-charge separation, the result for the boundary part at low energies turns out to be independent of filling and interaction strength and identical to the result for the Heisenberg model. For the bulk part at zero temperature, the scale in the logarithms is determined exactly from the Bethe ansatz. At finite temperature, the susceptibility profile as well as the Friedel oscillations in the magnetisation are obtained numerically from the density-matrix renormalisation group applied to transfer matrices. Agreement is found with an exact asymptotic expansion of the relevant correlation function.
Using the density-matrix renormalization-group (DMRG) technique, we calculate critical exponents for the one-dimensional Hubbard model with open boundary conditions with and without additional boundary potentials at both ends. A direct comparison with open boundary condition Bethe ansatz calculations provides a good check for the DMRG calculations on large system sizes. On the other hand, the DMRG calculations provide an independent check of the predictions of conformal field theory, which are needed to obtain the critical exponents from the Bethe ansatz. From the Bethe ansatz we predict the behavior of the 1/L1/L1/L-corrected mean value of the Friedel oscillations (for the density and the magnetization) and the characteristic wave vectors, and show numerically that these conjectures are fulfilled with and without boundary potentials. The quality of the numerical results allows us to determine the behavior of the coefficients of the Friedel oscillations as a function of the Hubbard interaction.
In the first part we calculate the boundary susceptibility χ B in the open XXZ -chain at zero temperature and arbitrary magnetic field h by the Bethe ansatz. We present analytical results for the leading terms when | h | ≪ α, where α is a known scale, and a numerical solution for the entire range of fields. In the second part we calculate susceptibility profiles near the boundary at finite temperature T numerically by using the density-matrix renormalization group for transfer matrices and analytically for T ≪ 1 by field theoretical methods. Finally, we compare χ B at finite temperature with a low-temperature asymptotics which we obtain by combining our Bethe ansatz result with recent predictions from bosonization.
The exact phase diagram and the ground-state properties of the one-dimensional Hubbard model with arbitrary on-site interaction of electrons are calculated over a wide range of magnetic field and electron concentrations by means of the Bethe-ansatz formalism. The ground-state properties, including the total energy, the average spin (magnetization) and spin (magnetic) susceptibility are investigated for both signs of the interaction strength U/t. The critical behavior near the onset of magnetization and magnetic saturation are also analyzed. At the onset of magnetization and near the magnetic saturation the spin susceptibility χ diverges at all U/t for half-filling case n=1, whereas for n≠1 it is always finite. The reverse susceptibility χ-1(U) exhibits anomalous hump, which increases with h or n, and shows discontinuity as U/t→±0 at infinitesimal h→0. The analytical results for the ground-state properties in strong and weak interaction limits are in full agreement with our numerical calculations.
Even though the Hubbard model is one of the most fundamental models of highly correlated electrons, analytical and numerical data describing its thermodynamics at nonzero magnetization are relatively scarce. We present a detailed investigation of the thermodynamic properties for the one-dimensional repulsive Hubbard model in the presence of an arbitrary magnetic field for all values of the filling fraction and temperatures as low as $T\ensuremath{\sim}0.005t.$ Our analysis is based on the system of integral equations derived in the quantum transfer matrix framework. We determine the critical exponents of the quantum phase transitions and also provide analytical derivations for some of the universal functions characterizing the thermodynamics in the vicinities of the quantum critical points. Extensive numerical data for the specific heat, susceptibility, compressibility, and entropy are reported. The experimentally relevant double occupancy presents an interesting doubly nonmonotonic temperature dependence at intermediate values of the interaction strength and also at large repulsion and magnetic fields close to the critical value. The susceptibility in zero magnetic field has a logarithmic singularity at low temperatures for all filling factors similar to the behavior of the same quantity in the spin-1/2 isotropic Heisenberg model. We determine the density profiles for a harmonically trapped system and show that while the total density profile seems to depend mainly on the value of chemical potential at the center of the trap the distribution of phases in the inhomogeneous system changes dramatically as we increase the magnetic field.