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arXiv:1410.1246 · Physical Review B

Superconductivity, antiferromagnetism, and phase separation in the two-dimensional Hubbard model: A dual-fermion approach

Junya Otsuki, Hartmut Hafermann, Alexander I. Lichtenstein

Published Dec 18, 2014• 98 citations
arXivHTMLPDF

Abstract

The dual-fermion approach offers a way to perform diagrammatic expansion around the dynamical mean field theory. Using this formalism, the influence of antiferromagnetic fluctuations on the self-energy is taken into account through ladder-type diagrams in the particle-hole channel. The resulting phase diagram for the (quasi-)two-dimensional Hubbard model exhibits antiferromagnetism and $d$-wave superconductivity. Furthermore, a uniform charge instability, i.e., phase separation, is obtained in the low-doping regime around the Mott insulator. We also examine spin/charge density wave fluctuations including $d$-wave symmetry. The model exhibits a tendency towards an unconventional charge density wave, but no divergence of the susceptibility is found.

DOI
10.1103/physrevb.90.235132

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The dual-fermion approach offers a way to perform diagrammatic expansion around the dynamical mean field theory. Using this formalism, the influence of antiferromagnetic fluctuations on the self-energy is taken into account through ladder-type diagrams in the particle-hole channel. The resulting phase diagram for the (quasi-)two-dimensional Hubbard model exhibits antiferromagnetism and ddd-wave superconductivity. Furthermore, a uniform charge instability, i.e., phase separation, is obtained in the low-doping regime around the Mott insulator. We also examine spin/charge density wave fluctuations including ddd-wave symmetry. The model exhibits a tendency towards an unconventional charge density wave, but no divergence of the susceptibility is found.
By using variational wave functions and quantum Monte Carlo techniques, we investigate the interplay between electron-electron and electron-phonon interactions in the two-dimensional Hubbard-Holstein model. Here, the ground-state phase diagram is triggered by several energy scales, i.e., the electron hopping ttt, the on-site electron-electron interaction UUU, the phonon energy ${\ensuremath{\omega}}_{0}$, and the electron-phonon coupling ggg. At half filling, the ground state is an antiferromagnetic insulator for $U\ensuremath{\gtrsim}2{g}^{2}/{\ensuremath{\omega}}_{0}$, while it is a charge-density-wave (or bipolaronic) insulator for $U\ensuremath{\lesssim}2{g}^{2}/{\ensuremath{\omega}}_{0}$. In addition to these phases, we find a superconducting phase that intrudes between them. For ${\ensuremath{\omega}}_{0}/t=1$, superconductivity emerges when both U/tU/tU/t and $2{g}^{2}/t{\ensuremath{\omega}}_{0}$ are small; then, by increasing the value of the phonon energy ${\ensuremath{\omega}}_{0}$, it extends along the transition line between antiferromagnetic and charge-density-wave insulators. Away from half filling, phase separation occurs when doping the charge-density-wave insulator, while a uniform (superconducting) ground state is found when doping the superconducting phase. In the analysis of finite-size effects, it is extremely important to average over twisted boundary conditions, especially in the weak-coupling limit and in the doped case.
Abstract Using the singular-mode functional renormalization group method, we studied the doping-dependent phase diagram of the two-dimensional extended Hubbard model on square lattice. At half-filling, a variety of states strongly compete, including spin-density wave, charge-density wave, phase separation, as well as d -wave and s -wave superconductivity (SC). Upon electron doping, the system exhibits a strong preference for superconducting states. At slight dopings, the spin-density wave phase is strongly suppressed, and d -wave SC region expands into positive U , V region. At moderate dopings, a region of degenerated p -wave superconductivities emerge for positive U and negative V . Our results demonstrate how doping tunes the dominant fluctuations, suppressing density waves and stabilizing unconventional superconducting states in two dimensions.
The phases with spontaneously broken symmetries corresponding to antiferromagnetic and ddd-wave superconducting order in the two-dimensional $t\ensuremath{-}{t}^{'}$-Hubbard model are investigated by means of the functional renormalization group. The introduction of composite boson fields in the magnetic, charge density, and superconducting channels allows an efficient parametrization of the four-fermion vertex and the study of regimes where either the antiferromagnetic or superconducting order parameter, or both, are nonzero. We compute the phase diagram and the temperature dependence of the order parameter below the critical temperature, where antiferromagnetic and superconducting order show a tendency of mutual exclusion.
The influence of spin and charge fluctuations on spectra of the two-dimensional fermionic Hubbard model is considered using the strong coupling diagram technique. Infinite sequences of diagrams containing ladder inserts, which describe the interaction of electrons with these fluctuations, are summed, and obtained equations are self-consistently solved for the ranges of Hubbard repulsions [Formula: see text], temperatures [Formula: see text] and electron concentrations [Formula: see text] with t the intersite hopping constant. For all considered U the system exhibits a transition to the long-range antiferromagnetic order at [Formula: see text]. At the same time no indication of charge ordering is observed. Obtained solutions agree satisfactorily with results of other approaches and obey moments sum rules. In the considered region of the U-T plane, the curve separating metallic solutions passes from [Formula: see text] at the highest temperatures to U = 2t at [Formula: see text] for half-filling. If only short-range fluctuations are allowed for the remaining part of this region is occupied by insulating solutions. Taking into account long-range fluctuations leads to strengthening of maxima tails, which transform a part of insulating solutions into bad-metal states. For low T, obtained results allow us to trace the gradual transition from the regime of strong correlations with the pronounced four-band structure and well-defined Mott gap for [Formula: see text] to the Slater regime of weak correlations with the spectral intensity having a dip along the boundary of the magnetic Brillouin zone due to an antiferromagnetic ordering for [Formula: see text]. For [Formula: see text] and [Formula: see text] doping leads to the occurrence of a pseudogap near the Fermi level, which is a consequence of the splitting out of a narrow band from a Hubbard subband. Obtained spectra feature waterfalls and Fermi arcs, which are similar to those observed in hole-doped cuprates.
The two-dimensional extended Hubbard model that includes a nearest-neighbor Heisenberg interaction is studied using a mean-field theory where quasiparticles are defined by an U(8) group of canonical transformations permitting both broken gauge, spin, and sublattice symmetry. The theory is further extended to incorporate a possible twist in the spin-quantization axis, so that the competition between superconductivity, charge density waves, and N\'eel and spiral antiferromagnetic order can be monitored within one single theory. Our results for positive Hubbard U and Heisenberg exchange J suggest that antiferromagnetic ordering dominates close to half-filling, while spiral states and d-wave superconductivity compete when doping is introduced. For moderate values of J, we find a phase diagram where a phase transition occurs from an antiferromagnet to a d-wave superconductor as doping is increased. A narrow region of (s+id)-wave superconductor is found for some values of J and U.
Proximity to a Mott insulating phase is likely to be an important physical ingredient of a theory that aims to describe high-temperature superconductivity in the cuprates. Quantum cluster methods are well suited to describe the Mott phase. Hence, as a step toward a quantitative theory of the competition between antiferromagnetism and ddd-wave superconductivity in the cuprates, we use cellular dynamical mean-field theory to compute zero-temperature properties of the two-dimensional square lattice Hubbard model. The ddd-wave order parameter is found to scale like the superexchange coupling JJJ for on-site interaction UUU comparable to or larger than the bandwidth. The order parameter also assumes a dome shape as a function of doping, while, by contrast, the gap in the single-particle density of states decreases monotonically with increasing doping. In the presence of a finite second neighbor hopping ${t}^{\ensuremath{'}}$, the zero-temperature phase diagram displays the electron-hole asymmetric competition between antiferromagnetism and superconductivity that is observed experimentally in the cuprates. Adding realistic third neighbor hopping ${t}^{\ensuremath{''}}$ improves the overall agreement with the experimental phase diagram. Since band parameters can vary depending on the specific cuprate considered, the sensitivity of the theoretical phase diagram to band parameters challenges the commonly held assumption that the doping vs Tc∕Tcmax{T}_{c}∕{T}_{c}^{\mathit{max}}Tc​∕Tcmax​ phase diagram of the cuprates is universal. The calculated angle-resolved photoemission spectrum displays the observed electron-hole asymmetry. The tendency to homogeneous coexistence of the superconducting and antiferromagnetic order parameters is stronger than observed in most experiments but consistent with many theoretical results and with experiments in some layered high-temperature superconductors. Clearly, our calculations reproduce important features of ddd-wave superconductivity in the cuprates that would otherwise be considered anomalous from the point of view of the standard Bardeen--Cooper--Schrieffer approach. At strong coupling, ddd-wave superconductivity and antiferromagnetism naturally appear as two equally important competing instabilities of the normal phase of the same underlying Hamiltonian.