We find marginal-Fermi-liquid- (MFL) like behavior in the Hubbard model on a square lattice for a range of hole doping and on-site interaction parameter U. Thereby we use a self-consistent projection operator method. It enables us to compute the momentum and frequency dependence of the single-particle excitations with high resolution. The Fermi surface is found to be holelike in the underdoped regime and electronlike in the overdoped regime. Our calculations concern normal state properties of the system. When a comparison is possible, we find consistency with finite temperature quantum Monte Carlo results. We also find a discontinuous change with doping concentration from a MFL to a Fermi-liquid behavior resulting from a collapse of the lower Hubbard band. This renders Luttinger's theorem inapplicable in the underdoped regime.
We find marginal-Fermi-liquid- (MFL) like behavior in the Hubbard model on a square lattice for a range of hole doping and on-site interaction parameter U. Thereby we use a self-consistent projection operator method. It enables us to compute the momentum and frequency dependence of the single-particle excitations with high resolution. The Fermi surface is found to be holelike in the underdoped regime and electronlike in the overdoped regime. Our calculations concern normal state properties of the system. When a comparison is possible, we find consistency with finite temperature quantum Monte Carlo results. We also find a discontinuous change with doping concentration from a MFL to a Fermi-liquid behavior resulting from a collapse of the lower Hubbard band. This renders Luttinger's theorem inapplicable in the underdoped regime.
Single-particle excitation spectra of the two-dimensional Hubbard model on the square lattice near half filling and at zero temperature are investigated on the basis of the self-consistent projection operator method. The method guarantees a high accuracy of the spectra with high energy and high momentum resolutions. It takes into account long-range intersite correlations as well as the strong on-site correlations. Effects of nonlocal excitations are clarified by comparing the results with those of the single-site approximation. The calculated spectra verify the quantum Monte-Carlo results for finite temperatures. The spectra at the Fermi level yield a hole-like Fermi surface in the underdoped region and an electron-like Fermi surface in the overdoped region. From a numerical analysis of the momentum dependent effective mass and self-energy, it is concluded that a marginal Fermi-liquid like state persists even at finite doping concentrations in the strongly correlated region because a van Hove singularity is pinned to the Fermi surface. It is also found that a kink structure appears in the quasiparticle energy band in the same region. The kink is shown to be caused by a mixing between the quasiparticle band and an excitation band with strong short-range antiferromagnetic correlations. These results suggest an explanation for some of the unusual properties of the normal state in high-Tc cuprates.
We present results of a systematic quantum Monte Carlo study for the single-band Hubbard model. Thereby we evaluated single-particle spectra (PES and IPES), two-particle spectra (spin and density correlation functions), and the dynamical correlation function of suitably defined diagnostic operators, all as a function of temperature and hole doping. The results allow us to identify different physical regimes. Near half-filling we find an anomalous ``Hubbard-I phase,'' where the band structure is, up to some minor modifications, consistent with the Hubbard-I predictions. At lower temperatures, where the spin response becomes sharp, additional dispersionless ``bands'' emerge due to the dressing of electrons/holes with spin excitations. We present a simple phenomenological fit that reproduces the band structure of the insulator quantitatively. The Fermi surface volume in the low-doping phase, as derived from the single-particle spectral function, is not consistent with the Luttinger theorem, but qualitatively in agreement with the predictions of the Hubbard-I approximation. The anomalous phase extends up to a hole concentration of $\ensuremath{\approx}15%,$ i.e., the underdoped region in the phase diagram of high-Tc superconductors. We also investigate the nature of the magnetic ordering transition in the single-particle spectra. We show that the transition to a spin-density wave-like band structure is not accomplished by the formation of any resolvable ``precursor bands,'' but rather by a (spectroscopically invisible) band of spin-3/2 quasiparticles. We discuss implications for the ``remnant Fermi surface'' in insulating cuprate compounds and the shadow bands in the doped materials.
The Fermi liquid theory is a central concept in modern condensed matter physics used to describe conventional metals. A state of this universality class consists of well-defined quasiparticles, which occupy a finite number of states within a Fermi volume defined in momentum space. According to the Luttinger’s theorem, such a state encloses a Fermi volume proportional to the electron density modulo the filled bands if no symmetry is broken. In the past decades strong deviations from Fermi liquid theory have been observed in the scaling behavior of thermodynamic observables in different materials, among which are for instance cuprates and iron pnictides. This thesis is about two prototypical systems that can not be described by Fermi liquid theory. The first part of this work investigates two-dimensional effective models, which are in a Mott insulating state at half-filling and have a finite conductivity when doped with holes. In such a Mott insulating state, the charge carriers are strongly localized due to the Coulomb repulsion. Hence, strong correlations are assumed to have a strong impact on the formation of the ground state, also in the regime of small hole concentration. In a first project we have used a so-called spinon dopon mean-field theory to represent the two-dimensional Fermi-Hubbard model with strong on-site repulsive interaction in effective degrees of freedom, in which the holes can be embedded into a quantum spin liquid. The corresponding SU(2) invariant ground state belongs to the class of fractionalized Fermi liquids. In a second project we investigate a quantum dimer model, an effective model based on a Hilbert space spanned by short range singlets and bound states of holes and spins. The focus here is on the calculation of the hole-part of the electron spectral function by using exact diagonalization and its comparison with two analytic methods, a diagrammatic computation based on the Bethe-Salpeter equation and a so-called two-mode approximation. The electron spectral function shows a similar analytic form in momentum space between nodal and antinodal point when compared to results from photoemission spectroscopy experiments on cuprates. Furthermore, in a subsequent work we calculate the exact ground state of the quantum dimer model along a certain parameter line. In order to analyze the behavior of the elctron spectral function when increasing the density of holes, we investigate the Fermi-Hubbard model in a current project using a dynamical mean-field approach. To solve the 4-site cluster impurity problem, we use a numerical renormalization group approach. However, numerical limitations force us to restrict the analysis to spin-polarized baths. According to the spectral data, the system is similar to the SU(2) invariant case at half-filling in a Mott insulating state and posseses a momentum-selective energy gap at finite doping. The topology of the Fermi surface shows a Lifshitz transition when increasing the hole concentration. Here, the curvature of the Fermi surface changes from electron- to hole-like. For comparison we apply the dynamical mean-field theory also to the quantum dimer model and observe that the electron spectral functions at finite doping are qualitatively similar to that of the two-dimensional Fermi-Hubbard model. The second half of the work is about Tomonaga-Luttinger liquid theory, which is used to describe the low-energy effective degrees of freedom of one-dimensional systems. Here, we first discuss a conceptional extension of the operator-based bosonization theory for one-dimensional systems. This extension is especially suited for inhomogeneous one-dimensional systems. First, we investigate a one-dimensional system with a local interation potential and compute an exact solution of the single particle propagator at T = 0. The critical exponent of the single particle propagator has an unconventional form as a function of the microscopic Tomonaga-Luttinger parameters, which is not covered by the original Luttinger paradigm postulated by F. Duncan M. Haldane. In a second project on one-dimensional systems, we study the impact of scattering processes among bosonic low-energy excitations on the thermalization process. Such scattering processes are irrelevant on large length scales, however strongly affect the dynamics. In our analytic analysis we focus on a experimental setup, where a one-dimensional Bose gas is instantaneously splitted in two identical, however strongly correlated, halves of one-dimensional electronic systems. In the following, the corresponding non-equilibrium state runs through multiple regimes in time, such as a metastable prethermalization regime. However, above a certain threshold in time such scattering processes cause an effective thermalization of the system. In order to demonstrate this, we compute the kinetic equation in the Keldysh field integral formalism from a diagrammatic expansion based on a self-consistent Born approximation.
We calculate the single-particle Green's function for a contact interaction with nearest-neighbor hopping on a square lattice as a function of chemical potential $\ensuremath{\mu}.$ This allows us to investigate the dependence of the leading Fermi-liquid dependencies on the band structure as the Fermi surface evolves from a circle at $\ensuremath{\mu}\ensuremath{\sim}\ensuremath{-}4t$ to a square at $\ensuremath{\mu}=0.$ The form of the single-particle self-energy $\ensuremath{\Sigma}(\stackrel{\ensuremath{\rightarrow}}{p},E)$ is determined by the density-density correlation function $\ensuremath{\chi}(\stackrel{\ensuremath{\rightarrow}}{q},\ensuremath{\omega})$ which develops two peaks for $\ensuremath{\mu}\ensuremath{\gtrsim}\ensuremath{-}2.5t$ unlike the parabolic band case. Near half-filling, $\ensuremath{\chi}(\stackrel{\ensuremath{\rightarrow}}{q},\ensuremath{\omega})$ becomes independent of $\ensuremath{\omega},$ one-dimensional behavior, at intermediate values of $\ensuremath{\omega},$ which leads to the one-dimensional behavior in $\ensuremath{\Sigma}(\stackrel{\ensuremath{\rightarrow}}{p},E).$ However, with $\ensuremath{\mu}<~\ensuremath{-}0.1t$ there is no influence on the Fermi-liquid dependencies from the spin-density wave instability. We find that throughout the doping region $\ensuremath{\Sigma}(\stackrel{\ensuremath{\rightarrow}}{p},E)$ remains qualitatively the same as for the isotropic Fermi surface with quantitative differences. The strong $\stackrel{\ensuremath{\rightarrow}}{p}$ and E dependence of the off-shell self-energy $\ensuremath{\Sigma}(p,E)$ found earlier for the parabolic band is recovered for $\ensuremath{\mu}\ensuremath{\lesssim}\ensuremath{-}t$ but deviates from this develop for $\ensuremath{\mu}\ensuremath{\gtrsim}\ensuremath{-}0.1t.$ The resonance peak width of the spectral function $A(\stackrel{\ensuremath{\rightarrow}}{p}E),$ has a linear dependence in ${\ensuremath{\xi}}_{\stackrel{\ensuremath{\rightarrow}}{p}}$ due to the E dependence of the imaginary part of $\ensuremath{\Sigma}(\stackrel{\ensuremath{\rightarrow}}{p},E).$ We point out that an accurate detailed form for $\ensuremath{\Sigma}(\stackrel{\ensuremath{\rightarrow}}{p},E)$ would be very difficult to recover from angle-resolved photoemission spectroscopy data for the spectral density. Since the leading corrections are determined by the long wavelength particle-hole excitations, the results found here for the Hubbard model carry over to Hamiltonians with finite range interactions.
Various angle-dependent measurements in hole-doped cuprates suggested that non-Fermi liquid (NFL) and Fermi-liquid (FL) self-energies coexist in the Brillouin zone. Moreover, it is also found that NFL self-energies survive up to the overdoped region where the resistivity features a global FL-behavior. To address this problem, we compute the momentum dependent self-energy from a single band Hubbard model. The self-energy is calculated self-consistently by using a momentum-dependent density-fluctuation (MRDF) method. One of our main results is that the computed self-energy exhibits a marginal-FL (MFL)-like frequency dependence only in the antinodal region, and FL-like behavior elsewhere at all dopings. The MFL self-energy stems from the fluctuations between the itinerant and localized densities-a result that appears when self-energy is calculated self-consistently and features an intermediate coupling behavior of cuprates. We also calculate the DC conductivity by including the full momentum dependent self-energy. We find that the resistivity-temperature exponent n becomes 1 near the optimal doping, while the MFL self-energy occupies largest momentum-space volume. Surprisingly, even in the NFL state near the optimal doping, the nodal region contains FL-like self-energies; while in the under- and over-dopings ([Formula: see text]), the antinodal region remains NFL-like. These results highlight the non-local correlation physics in cuprates and in other similar intermediately correlated materials, where a direct link between the microscopic single-particle spectral properties and the macroscopic transport behavior can not be well established.
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.