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We present an exact diagonalization study of the self-energy of the two-dimensional Hubbard model. To increase the range of available cluster sizes we use a corrected t-J model to compute approximate Greens functions for the Hubbard model. This allows to obtain spectra for clusters with 18 and 20 sites. The self-energy has several `bands of poles with strong dispersion and extended incoherent continua with k-dependent intensity. We fit the self-energy by a minimal model and use this to extrapolate the cluster results to the infinite lattice. The resulting Fermi surface shows a transition from hole pockets in the underdoped regime to a large Fermi surface in the overdoped regime. We demonstrate that hole pockets can be completely consistent with the Luttinger theorem. Introduction of next-nearest neighbor hopping changes the self-energy stronlgy and the spectral function with nonvanishing next-nearest-neighbor hopping in the underdoped region is in good agreement with angle resolved photoelectron spectroscopy.
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One of the distinctive features of hole-doped cuprate superconductors is the onset of a `pseudogap below a temperature $T^*$. Recent experiments suggest that there may be a connection between the existence of the pseudogap and the topology of the Fermi surface. Here, we address this issue by studying the two-dimensional Hubbard model with two distinct numerical methods. We find that the pseudogap only exists when the Fermi surface is hole-like and that, for a broad range of parameters, its opening is concomitant with a Fermi surface topology change from electron- to hole-like. We identify a common link between these observations: the pole-like feature of the electronic self-energy associated with the formation of the pseudogap is found to also control the degree of particle-hole asymmetry, and hence the Fermi surface topology transition. We interpret our results in the framework of an SU(2) gauge theory of fluctuating antiferromagnetism. We show that a mean-field treatment of this theory in a metallic state with U(1) topological order provides an explanation of this pole-like feature, and a good description of our numerical results. We discuss the relevance of our results to experiments on cuprates.
One of the fundamental questions about the high temperature cuprate superconductors is the size of the Fermi surface (FS) underlying the superconducting state. By analyzing the single particle spectral function for the Fermi Hubbard model as a function of repulsion $U$ and chemical potential $mu$, we find that the Fermi surface in the normal state reconstructs from a large Fermi surface matching the Luttinger volume as expected in a Fermi liquid, to a Fermi surface that encloses fewer electrons that we dub the Luttinger Breaking (LB) phase, as the Mott insulator is approached. This transition into a non-Fermi liquid phase that violates the Luttinger count, is a continuous phase transition at a critical density in the absence of any other broken symmetry. We obtain the Fermi surface contour from the spectral weight $A_{vec{k}}(omega=0)$ and from an analysis of the poles and zeros of the retarded Greens function $G_{vec{k}}^{ret}(E=0)$, calculated using determinantal quantum Monte Carlo and analytic continuation methods.We discuss our numerical results in connection with experiments on Hall measurements, scanning tunneling spectroscopy and angle resolved photoemission spectroscopy.
A precursor effect on the Fermi surface in the two-dimensional Hubbard model at finite temperatures near the antiferromagnetic instability is studied using three different itinerant approaches: the second order perturbation theory, the paramagnon theory (PT), and the two-particle self-consistent (TPSC) approach. In general, at finite temperature, the Fermi surface of the interacting electron systems is not sharply defined due to the broadening effects of the self-energy. In order to take account of those effects we consider the single-particle spectral function $A({bf k},0)$ at the Fermi level, to describe the counterpart of the Fermi surface at T=0. We find that the Fermi surface is destroyed close to the pseudogap regime due to the spin-fluctuation effects in both PT and TPSC approaches. Moreover, the top of the effective valence band is located around ${bf k}=(pi/2,pi/2)$ in agreement with earlier investigations on the single-hole motion in the antiferromagnetic background. A crossover behavior from the Fermi-liquid regime to the pseudogap regime is observed in the electron concentration dependence of the spectral function and the self-energy.
We study the frequency-dependent structure of electronic self-energy in the pseudogap and superconducting states of the two-dimensional Hubbard model. We present the self-energy calculated with the cellular dynamical mean-field theory systematically in the space of temperature, electron density, and interaction strength. We show that the low-frequency part of the self-energy is well represented by a simple equation, which describes the transitions of an electron to and from a hidden fermionic state. By fitting the numerical data with this simple equation, we determine the parameters characterizing the hidden fermion and discuss its identity. The simple expression of the self-energy offers a way to organize numerical data of this uncomprehended superconducting and pseudogap states, as well as a useful tool to analyze spectroscopic experimental results. The successful description by the simple two-component fermion model supports the idea of dark and bright fermions emerging from a bare electron as bistable excitations in doped Mott insulators.
The repulsive Fermi Hubbard model on the square lattice has a rich phase diagram near half-filling (corresponding to the particle density per lattice site $n=1$): for $n=1$ the ground state is an antiferromagnetic insulator, at $0.6 < n lesssim 0.8$, it is a $d_{x^2-y^2}$-wave superfluid (at least for moderately strong interactions $U lesssim 4t$ in terms of the hopping $t$), and the region $1-n ll 1$ is most likely subject to phase separation. Much of this physics is preempted at finite temperatures and to an extent driven by strong magnetic fluctuations, their quantitative characteristics and how they change with the doping level being much less understood. Experiments on ultra-cold atoms have recently gained access to this interesting fluctuation regime, which is now under extensive investigation. In this work we employ a self-consistent skeleton diagrammatic approach to quantify the characteristic temperature scale $T_{M}(n)$ for the onset of magnetic fluctuations with a large correlation length and identify their nature. Our results suggest that the strongest fluctuations---and hence highest $T_{M}$ and easiest experimental access to this regime---are observed at $U/t approx 4-6$.
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