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arXiv:0812.1071 · Physical Review B

Generic susceptibilities of the half-filled Hubbard model in infinite dimensions

Carsten Raas, Götz Silvester Uhrig

Published Mar 30, 2009• 18 citations
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Abstract

Around a metal-to-insulator transition driven by repulsive interaction (Mott transition) the single-particle excitations and the collective excitations are equally important. Here we present results for the generic susceptibilities at zero temperature in the half-filled Hubbard model in infinite dimensions. Profiting from the high resolution of dynamic density-matrix renormalization at all energies, results for the charge, spin, and Cooper-pair susceptibilities in the metallic and the insulating phase are computed. In the insulating phase, an almost saturated local magnetic moment appears. In the metallic phase a pronounced low-energy peak is found in the spin response. It is the precursor of the magnetic moment in the insulator.

DOI
10.1103/physrevb.79.115136

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Around a metal-to-insulator transition driven by repulsive interaction (Mott transition) the single-particle excitations and the collective excitations are equally important. Here we present results for the generic susceptibilities at zero temperature in the half-filled Hubbard model in infinite dimensions. Profiting from the high resolution of dynamic density-matrix renormalization at all energies, results for the charge, spin, and Cooper-pair susceptibilities in the metallic and the insulating phase are computed. In the insulating phase, an almost saturated local magnetic moment appears. In the metallic phase a pronounced low-energy peak is found in the spin response. It is the precursor of the magnetic moment in the insulator.
Finding microscopic models for metallic states that exhibit quantum critical properties is a major theoretical challenge. We calculate the dynamical local spin susceptibility $\ensuremath{\chi}(T,\ensuremath{\omega})$ for a Hubbard model at half-filling using dynamical mean-field theory, which is exact in infinite dimensions. Qualitatively distinct behavior is found in the different regions of the phase diagram: Mott insulator, Fermi liquid metal, bad metal, and a quantum critical region above the finite-temperature critical point. The signature of the latter is $\ensuremath{\omega}/T$ scaling, where $\ensuremath{\omega}$ is the frequency and TTT is the temperature. Our results are consistent with previous results showing scaling of the dc electrical conductivity, and they are relevant to experiments on organic charge-transfer salts.
We analyse the thermodynamic Bethe Ansatz equations of the one-dimensional half-filled Hubbard model in the ‘spin-disordered regime’, which is characterized by the temperature being much larger than the magnetic energy scale, but small compared to the Mott–Hubbard gap. In this regime the thermodynamics of the Hubbard model can be thought of in terms of gapped charged excitations with an effective dispersion and spin degrees of freedom that only contribute entropically. In particular, the internal energy and the effective dispersion become essentially independent of temperature. An interpretation of this regime in terms of a putative interacting-electron system at zero temperature leads to a metal–insulator transition at a finite interaction strength above which the gap opens linearly. We relate these observations to studies of the Mott–Hubbard transition in the limit of infinite dimensions.
We determine the ground-state phase diagram for the 1/r1/r1/r-Hubbard model with repulsive nearest-neighbor interaction at half band filling using the density-matrix renormalization group method. Due to the absence of Umklapp scattering, the phase diagram displays finite regions for the three generic phases, namely, a Luttinger liquid metal for weak interactions, a Mott-Hubbard insulator for dominant Hubbard interactions, and a charge-density-wave insulator for dominant nearest-neighbor interactions. Up to moderate interaction strengths, the quantum phase transitions between the metallic and insulating phases are continuous, i.e., the gap opens continuously as a function of the interaction strength. We conclude that generic short-range interactions do not change the nature of the Mott transition qualitatively.
We study antiferromagnetism and single-particle properties in the two-dimensional half-filled Hubbard model at low temperature. Collective spin fluctuations are governed by a non-linear sigma model that we derive from the Hubbard model for any value of the Coulomb repulsion. As the Coulomb repulsion increases, the ground state progressively evolves from a Slater to a Mott-Heisenberg antiferromagnet. At finite temperature, we find a metal-insulator transition between a pseudogap phase at weak coupling and a Mott-Hubbard insulator at strong coupling.
We study the Hubbard model at half band-filling on a Bethe lattice with infinite coordination number in the paramagnetic insulating phase at zero temperature. We use the dynamical mean-field theory (DMFT) mapping to a single-impurity Anderson model with a bath whose properties have to be determined self-consistently. For a controlled and systematic implementation of the self-consistency scheme we use the fixed-energy (FE) approach to the DMFT. In FE-DMFT the onset and the width of the Hubbard bands are adjusted self-consistently but the energies of the bath levels are kept fixed relatively to both band edges during the calculation of self-consistent hybridization strengths between impurity and bath sites. Using the dynamical density-matrix renormalization group method (DDMRG) we calculate the density of states with a resolution ranging from 3% of the bare bandwidth W=4tW=4tW=4t at high energies to 0.5% in the vicinity of the gap. The DDMRG resolution and accuracy for the density of states and the gap is superior to those obtained with other numerical methods in previous DMFT investigations. We find that the Mott gap closes at a critical coupling Uc/t=4.45±0.05U_{\rm c}/t=4.45 \pm 0.05Uc​/t=4.45±0.05. At U=4.5tU=4.5tU=4.5t, we observe prominent shoulders near the onset of the Hubbard bands. They are the remainders of the quasi-particle resonance in the metallic phase which appears to split when the gap opens at UcU_{\rm c}Uc​.