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Journal of Physics Condensed Matter

The 2D Hubbard model and the pseudogap: a COM(SCBA) study

Adolfo Avella, Ferdinando Mancini

Published May 30, 2007• 10 citations
Publisher

Abstract

The two-dimensional Hubbard model is studied within the composite operator method (COM) with the electronic self-energy computed in the self-consistent Born approximation (SCBA). The main idea of the COM is to describe interacting electrons in terms of the composite elementary excitations appearing in the system owing to strong correlations; the residual interactions among these excitations are treated within the SCBA. By analysing the spectral function A(k,ω) on varying the filling, we find, at high doping, the ordinary Fermi-liquid behaviour of a weakly interacting metal and, at low doping, the opening of a pseudogap, as reported for cuprates superconductors.

DOI
10.1088/0953-8984/19/25/255209

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The two-dimensional Hubbard model is studied within the composite operator method (COM) with the electronic self-energy computed in the self-consistent Born approximation (SCBA). The main idea of the COM is to describe interacting electrons in terms of the composite elementary excitations appearing in the system owing to strong correlations; the residual interactions among these excitations are treated within the SCBA. By analysing the spectral function A(k,ω) on varying the filling, we find, at high doping, the ordinary Fermi-liquid behaviour of a weakly interacting metal and, at low doping, the opening of a pseudogap, as reported for cuprates superconductors.
The two-dimensional Hubbard model is studied within the composite operator method (COM) with the self-energy computed in the self-consistent Born approximation (SCBA). The COM describes interacting electrons in terms of the new elementary excitations that appear in the system owing to strong correlations; residual interactions among these excitations are treated within the SCBA. On decreasing the doping (from the overdoped to underdoped region), anomalous features develop in the spectral function $A(\mathbf{k},\ensuremath{\omega})$, the Fermi surface, the momentum distribution function n(k)n(\mathbf{k})n(k), the dispersion, and the density of states $N(\ensuremath{\omega})$ in the intermediate-coupling regime (U=8)(U=8)(U=8) at low temperatures (T=0.01−−0.02)(T=0.01--0.02)(T=0.01−−0.02). At high doping (n=0.7)(n=0.7)(n=0.7), the system resembles an ordinary weakly interacting metal. At low doping (n=0.92)(n=0.92)(n=0.92), a pseudogap opens, hot and cold spots appear, and non-Fermi-liquid features develop. This behavior, together with the presence of kinks in the calculated electronic dispersion, is in agreement with angle-resolved photoemission spectroscopy data for high-Tc{T}_{c}Tc​ cuprates superconductors.
The microscopical analysis of the unconventional and puzzling physics of the underdoped cuprates, as carried out lately by means of the composite operator method (COM) applied to the 2D Hubbard model, is reviewed and systematized. The 2D Hubbard model has been adopted as it has been considered the minimal model capable of describing the most peculiar features of cuprates held responsible for their anomalous behavior. COM is designed to endorse, since its foundation, the systematic emergence in any SCS of new elementary excitations described by composite operators obeying noncanonical algebras. In this case (underdoped cuprates—2D Hubbard model), the residual interactions—beyond a 2-pole approximation—between the new elementary electronic excitations, dictated by the strong local Coulomb repulsion and well described by the two Hubbard composite operators, have been treated within the noncrossing approximation. Given this recipe and exploiting the few unknowns to enforce the Pauli principle content in the solution, it is possible to qualitatively describe some of the anomalous features of high-Tc cuprate superconductors such as large versus small Fermi surface dichotomy, Fermi surface deconstruction (appearance of Fermi arcs), nodal versus antinodal physics, pseudogap(s), and kinks in the electronic dispersion. The resulting scenario envisages a smooth crossover between an ordinary weakly interacting metal sustaining weak, short-range antiferromagnetic correlations in the overdoped regime to an unconventional poor metal characterized by very strong, long-but-finite-range antiferromagnetic correlations leading to momentum-selective non-Fermi liquid features as well as to the opening of a pseudogap and to the striking differences between the nodal and the antinodal dynamics in the underdoped regime.
The theoretical investigation of spectral functions and pseudogap in systems with strongly correlated electrons is discussed, with the emphasis on the single-band t-J model as relevant for superconducting cuprates. The evidence for the pseudogap features from numerical studies of the model is presented. One of the promising methods to study spectral functions is the method of equations of motion. The latter can deal systematically with the local constraints and projected fermion operators inherent for strongly correlated electrons. In the evaluation of the self energy the decoupling of spin and single-particle fluctuations is performed. In an undoped antiferromagnet the method reproduces the selfconsistent Born approximation (SCBA). For finite doping the approximation evolves into a paramagnon contribution which retains large incoherent contribution in the hole part. On the other hand, the contribution of longer-range spin fluctuations is essential for the emergence of the pseudogap. The latter shows up at low doping in the effective truncation of the large Fermi surface, reduced electron density of states and at the same time reduced quasiparticle density of states at the Fermi level.
We have studied the pseudogap formation in the single-particle spectra of the half-filling two-dimensional Hubbard model. Using a Green's function with the one-loop self-energy correction of the spin and charge fluctuations, we have numerically calculated the self-energy, the spectral function, and the density of states in the weak-coupling regime at finite temperature. Pseudogap formations have been observed in both the density of states and the spectral function at the Fermi level. The pseudogap in the spectral function is explained by the non-Fermi-liquid-like nature of the self-energy. The anomalous behavior in the self-energy is caused by both the strong antiferromagnetic spin fluctuation and the nesting condition on the non-interacting Fermi surface. In the present approximation, we find a logarithmic singularity in the integrand of the imaginary part of the self-energy. Concerning the energy dependence of the spectral function and the self-energy, two theorems are proved. They give a necessary condition in the self-energy to produce the pseudogap at the Fermi level. The pseudogap in the spectral function is highly momentum dependent on the Fermi surface. It opens initially in the (±π,0)(\pm π,0)(±π,0), (0,±π)(0,\pm π)(0,±π) regions as the normal state pseudogap observed in the high-TcT_cTc​ superconductors and if the interaction is increased, it spreads to other Fermi surface sectors. The anisotropy of the pseudogap is produced by the low-energy enhancement of the spin excitation around Q=(π,π){\bf Q}=(π,π)Q=(π,π) and the flatness of the band dispersion around the saddle point.
The effect of doping in the two-dimensional Hubbard model is studied within finite temperature exact diagonalization combined with cluster dynamical mean field theory. By employing a mixed basis involving cluster sites and bath molecular orbitals for the projection of the lattice Green's function onto 2x2 clusters, a considerably more accurate description of the low frequency properties of the self-energy is achieved than in a pure site picture. The transition from Fermi-liquid to non-Fermi-liquid behavior for decreasing hole doping is studied as a function of Coulomb energy, next-nearest neighbor hopping, and temperature. In particular, the self-energy component Sigma_X associated with X=(pi,0) is shown to exhibit an onset of non-Fermi-liquid behavior as the hole doping decreases below a critical value delta_c. The imaginary part of Sigma_X(omega) then develops a collective mode above E_F, which exhibits a distinct dispersion with doping. Accordingly, the real part of Sigma_X(omega) has a positive slope above E_F, giving rise to an increasing particle-hole asymmetry as the system approaches the Mott transition. This behavior is consistent with the removal of spectral weight from electron states close to E_F and the opening of a pseudogap which increases with decreasing doping. The phase diagram reveals that delta_c = 0.15 ... 0.20 for various system parameters. For electron doping, the collective mode of Sigma_X(omega) and the concomitant pseudogap are located below the Fermi energy which is consistent the removal of spectral weight from hole states just below E_F. The critical doping which marks the onset of non-Fermi-liquid behavior, is systematically smaller than for hole doping.