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Register a new userThe spectral weight of the Hubbard model through cluster perturbation theory
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We calculate the spectral weight of the one- and two-dimensional Hubbard models, by performing exact diagonalizations of finite clusters and treating inter-cluster hopping with perturbation theory. Even with relatively modest clusters (e.g. 12 sites), the spectra thus obtained give an accurate description of the exact results. Thus, spin-charge separation (i.e. an extended spectral weight bounded by singularities) is clearly recognized in the one-dimensional Hubbard model, and so is extended spectral weight in the two-dimensional Hubbard model.
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The repulsive Hubbard model has been immensely useful in understanding strongly correlated electron systems, and serves as the paradigmatic model of the field. Despite its simplicity, it exhibits a strikingly rich phenomenology which is reminiscent of that observed in quantum materials. Nevertheless, much of its phase diagram remains controversial. Here, we review a subset of what is known about the Hubbard model, based on exact results or controlled approximate solutions in various limits, for which there is a suitable small parameter. Our primary focus is on the ground state properties of the system on various lattices in two spatial dimensions, although both lower and higher dimensions are discussed as well. Finally, we highlight some of the important outstanding open questions.
The opening of a critical-fluctuation induced pseudogap (or precursor pseudogap) in the one-particle spectral weight of the half-filled two-dimensional Hubbard model is discussed. This pseudogap, appearing in our Monte Carlo simulations, may be obtained from many-body techniques that use Green functions and vertex corrections that are at the same level of approximation. Self-consistent theories of the Eliashberg type (such as the Fluctuation Exchange Approximation) use renormalized Green functions and bare vertices in a context where there is no Migdal theorem. They do not find the pseudogap, in quantitative and qualitative disagreement with simulations, suggesting these methods are inadequate for this problem. Differences between precursor pseudogaps and strong-coupling pseudogaps are also discussed.
Using the variational cluster approach (VCA), we study the transition from the antiferromagnetic to the superconducting phase of the two-dimensional Hubbard model at zero temperature. Our calculations are based on a new method to evaluate the VCA grand potential which employs a modified Lanczos algorithm and avoids integrations over the real or imaginary frequency axis. Thereby, very accurate results are possible for cluster sizes not accessible to full diagonalization. This is important for an improved treatment of short-range correlations, including correlations between Cooper pairs in particular. We investigate the cluster-size dependence of the phase-separation tendency that has been proposed recently on the basis of calculations for smaller clusters. It is shown that the energy barrier driving the phase separation decreases with increasing cluster size. This supports the conjecture that the ground state exhibits microscopic inhomogeneities rather than macroscopic phase separation. The evolution of the single-particle spectum as a function of doping is studied in addtion and the relevance of our results for experimental findings is pointed out.
Cluster Perturbation Theory (CPT) is a computationally economic method commonly used to estimate the momentum and energy resolved single-particle Greens function. It has been used extensively in direct comparisons with experiments that effectively measure the single-particle Greens function, e.g., angle-resolved photoemission spectroscopy. However, many experimental observables are given by two-particle correlation functions. CPT can be extended to compute two-particle correlation functions by approximately solving the Bethe-Salpeter equation. We implement this method and focus on the transverse spin-susceptibility, measurable via inelastic neutron scattering or with optical probes of atomic gases in optical lattices. We benchmark the method with the one-dimensional Fermi-Hubbard model at half filling by comparing with known results.
We determine the ground-state phase diagram of the three-band Hubbard model across a range of model parameters using density matrix embedding theory. We study the atomic-scale nature of the antiferromagnetic (AFM) and superconducting (SC) orders, explicitly including the oxygen degrees of freedom. All parametrizations of the model display AFM and SC phases, but the decay of AFM order with doping is too slow compared to the experimental phase diagram, and further, coexistence of AFM and SC orders occurs in all parameter sets. The local magnetic moment localizes entirely at the copper sites. The magnetic phase diagram is particularly sensitive to $Delta_{pd}$ and $t_{pp}$, and existing estimates of the charge transfer gap $Delta_{pd}$ appear too large in so-called minimal model parametrizations. The electron-doped side of the phase diagram is qualitatively distinct from hole-doped side and we find an unusual two-peak structure in the SC in the full model parametrization. Examining the SC order at the atomic scale, within the larger scale $d_{x^2 - y^2}$-wave SC pairing order between Cu-Cu and O-O, we also observe a local $p_{x (y)}$ [or $d_{xz (yz)}$]-symmetry modulation of the pair density on the Cu-O bonds. Our work highlights some of the features that arise in a three-band versus one-band picture, the role of the oxygen degrees of freedom in new kinds of atomic-scale SC orders, and the necessity of re-evaluating current parametrizations of the three-band Hubbard model.
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