We compute high-resolution angle-resolved photoemission spectroscopy of the Hubbard model using the unbiased determinant quantum Monte Carlo algorithm, revealing an asymmetry between electron and hole doping. Electron doping exhibits more coherent quasiparticles and stronger antiferromagnetic correlations compared to hole doping. At low doping, a nodal-antinodal dichotomy on the Fermi surface is observed, similar to cuprate experiments. The dichotomy reflects the momentum dependence of the Mott gap, as manifested in both the spectral function and the self-energy. For hole doping, we observe a transition towards the pseudogap, without signature of pocket formation. The simulated nuclear magnetic resonance pseudogap temperatures do not necessarily agree with the temperature determined by spectroscopy. These findings collectively suggest the pseudogap is a smooth crossover driven by strong correlations.
Using the dynamical cluster approximation and quantum Monte Carlo simulations we calculate the single-particle spectra of the Hubbard model with next-nearest neighbor hopping . In the underdoped region, we find that the pseudogap along the zone diagonal in the electron doped systems is due to long-range antiferromagnetic correlations. The physics in the proximity of (0, pi) is dramatically influenced by t' and determined by the short range correlations. The effect t' of on the low-energy angle-resolved photoemission spectroscopy spectra is weak except close to the zone edge. The short range correlations are sufficient to yield a pseudogap signal in the magnetic susceptibility and produce a concomitant gap in the single-particle spectra near (pi, pi/2), but not necessarily at a location in the proximity of the Fermi surface.
Despite the intense theoretical and experimental effort, an understanding of the superconducting pairing mechanism of the high-temperature superconductors is still lacking. An additional puzzle is the unknown connection between the superconducting gap and the so-called pseudogap which is a central property of the most unusual normal state. Angle-resolved photoemission spectroscopy (ARPES) measurements have revealed a gap-like behavior on parts of the Fermi surface, leaving a non-gapped segment known as Fermi arc around the diagonal of the Brillouin zone. Starting from the
t-
J model, in this paper we present a microscopic approach to investigate physical properties of the pseudogap phase in the framework of a novel renormalization scheme called PRM. This approach is based on a stepwise elimination of high-energy transitions using unitary transformations. We arrive at a renormalized 'free' Hamiltonian for correlated electrons. The ARPES spectral function along the Fermi surface turns out to be in good agreement with experiment: We find well-defined excitation peaks around
ω=0 near the nodal direction, which become strongly suppressed around the antinodal point. The origin of the pseudogap can be traced back to a suppression of spectral weight from incoherent excitations in a small
ω-range around the Fermi energy. In a subsequent paper, also the supercunducting phase at moderate hole doping will be discussed within the PRM approach.
Abstract Using the strong-coupling diagram technique, low-temperature spectral properties of the two-dimensional fermionic Hubbard model are considered for strong and moderate Hubbard repulsions U . The electron hopping to the nearest, second and third neighbors is taken into account with hopping constants t , t ′ = − 0.3 t and t ″ = 0.2 t , respectively. The nonzero values of t ′ and t ″ lead to strong asymmetry in magnetic properties with respect to the hole and electron doping—for U = 8 t strong antiferromagnetic correlations are retained up to the electron concentration n ¯ ≈ 1.25 , while they are destroyed completely at n ¯ ≈ 0.87 . When the temperature is decreased to T ≲ 0.1 t , in a wide range of electron concentrations there appear narrow and intensive peaks at the Fermi level (FL) in densities of states. For U ≲ 6 t the peaks are seen even at half-filling, while for larger U they arise as the FL leaves the Mott gap. The peaks are connected with a narrow band emerging at low temperatures. We identify states forming the band with spin-polaron excitations—bound states of correlated electrons and mobile spin excitations. Obtained low-temperature spectral functions are used for interpreting the peak-dip-hump structure observed in the photoemission of Nd 2− x Ce x CuO 4 . In the case of hole doping, the calculated Fermi contour contains arcs near nodal points with pseudogaps near antinodal points, while for electron doping the spectral intensity is suppressed at hot spots, in agreement with experimental observations in cuprate perovskites.
Exact diagrammatic quantum Monte Carlo (DiagMC) results for the nearest-neighbor Hubbard model motivate a closer study of the pseudogap. Using the improved two-particle self-consistent approach (TPSC+), we analyze Energy (EDC) and Momentum Distribution Curves (MDC) simultaneously. We show that Fermi-liquid terminology breaks down in the pseudogap regime, requiring a distinction between true and false Fermi surfaces and zero-energy quasiparticle (ZEQ) lines. A false Fermi surface has a momentum-space spectral maximum but a frequency-space depression at zero energy, while a false ZEQ line violates the standard quasiparticle condition
∂Σ′(k,ω)/∂ω∣ω=0<0.The pseudogap is driven by critical thermal spin fluctuations, which occur in two dimensions because of the Mermin-Wagner theorem. Commensurate fluctuations first open an antinodal pseudogap, leaving true Fermi arcs. With decreasing temperature, the Fermi surface evolves into hole- and electron-like false Fermi surfaces. Incommensurate fluctuations generate hot spots near the diagonal, where the pseudogap persists to the quantum critical point (QCP), whereas at
kAN it disappears before the QCP doping. There, the spectrum has two precursor antiferromagnetic (AFM) bands, both in the unoccupied (
ω>0) region. We benchmark TPSC+ against DiagMC results for the Matsubara spectral proxy
−Im[G(k,iπT)]/π. TPSC+ underestimates pseudogap suppression in the strong-interaction regime, reproducing DiagMC behavior at lower temperatures or doping. This proxy is equivalent to the spectral function with thermal broadening
η=πT, which obscures features when
πT is not the smallest energy scale. Using
A(k,0), we find that hole-like Fermi surfaces emerge at any interaction strength at low temperature, even at weak coupling.
Despite the intense theoretical and experimental effort, an understanding of the superconducting pairing mechanism of the high-temperature superconductors leading to an unprecedented high transition temperature
Tc is still lacking. An additional puzzle is the unknown connection between the superconducting gap and the so-called pseudogap which is a central property of the most unusual normal state. Angle-resolved photoemission spectroscopy (ARPES) measurements have revealed a gaplike behavior on parts of the Fermi surface, leaving a nongapped segment known as Fermi arc around the diagonal of the Brillouin zone. Two main interpretations of the origin of the pseudogap have been proposed: either the pseudogap is a precursor to superconductivity, or it arises from another order competing with superconductivity. Starting from the t-J model, in this paper we present a microscopic approach to investigate physical properties of the pseudogap phase as well as the superconducting phase in the framework of a renormalization scheme called projector-based renormalization method. This approach is based on a stepwise elimination of high-energy transitions using unitary transformations. We arrive at renormalized ``free'' Hamiltonians for correlated electrons for both phases. Our microscopic approach allows us to explain the experimental findings in the underdoped as well as in the optimal hole doping regime. The ARPES spectral function along the Fermi surface turns out to be in good agreement with experiment: For the pseudogap phase we find well-defined excitation peaks around $\ensuremath{\omega}=0$ near the nodal direction, which become strongly suppressed around the antinodal point. The origin of the pseudogap can be traced back to a suppression of spectral weight from incoherent excitations in a small $\ensuremath{\omega}$ range around the Fermi energy. In the superconducting phase, the order parameter turns out to have
d-wave symmetry with a coherence length of a few lattice constants. In good agreement with experiments, we find no superconducting solutions for very small hole doping.
Anomalous properties of the normal state of a strongly correlated electron system described by an attractive extended Hubbard model are investigated. The equations of motion of the Green’s functions are calculated with the two-pole approximation which gives rise to quasiparticle renormalized bands. The two-pole approximation leads to a set of correlation functions. In particular, the antiferromagnetic correlation function plays an important role as a source of anomalies in the normal state of the model. The uniform static magnetic susceptibility as a function of occupation n T and temperature is calculated. At low temperatures, the susceptibility presents a peak for n T ≃ 0.80. The results suggest that it is the onset of short-range antiferromagnetic correlations, which could be a mechanism for the pseudogap. The Fermi surface, defined by the spectral function , is presented for different dopings. It has been observed that above n T ≃ 0.80 the ordinary Fermi surface evolves to a hole pocket with pseudogaps near the antinodal points (0,π) and (π,0).