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arXiv:cond-mat/0111368 · Physical review. B, Condensed matter

Angle-resolved photoemission spectra of the Hubbard model

Thomas Maier, Thomas Pruschke, Mark Jarrell

Published Aug 1, 2002• 82 citations
arXivHTMLPDF

Abstract

We discuss spectra calculated for the two-dimensional Hubbard model in the intermediate coupling regime with the dynamical cluster approximation, which is a nonperturbative approach. We find a crossover from a normal Fermi liquid with a Fermi surface closed around the Brillouin-zone center at large doping to a non-Fermi liquid for small doping where the Fermi surface is holelike, closed around $M=(\ensuremath{\pi},\ensuremath{\pi}).$ The topology of the Fermi surface at low doping indicates a violation of Luttinger's theorem. We discuss different ways of presenting the spectral data to extract information about the Fermi surface. A comparison to recent experiments is presented.

DOI
10.1103/physrevb.66.075102

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We discuss spectra calculated for the two-dimensional Hubbard model in the intermediate coupling regime with the dynamical cluster approximation, which is a nonperturbative approach. We find a crossover from a normal Fermi liquid with a Fermi surface closed around the Brillouin-zone center at large doping to a non-Fermi liquid for small doping where the Fermi surface is holelike, closed around M=(\ensuremathπ,\ensuremathπ).M=(\ensuremath{\pi},\ensuremath{\pi}).M=(\ensuremathπ,\ensuremathπ). The topology of the Fermi surface at low doping indicates a violation of Luttinger's theorem. We discuss different ways of presenting the spectral data to extract information about the Fermi surface. A comparison to recent experiments is presented.
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The underlying Fermi surface is a key concept for strongly interacting electron models and has been introduced to generalize the usual notion of the Fermi surface to generic (superconducting or insulating) systems. By using improved correlated wave functions that contain backflow and Jastrow terms, we examine the two-dimensional ttt-${t}^{\ensuremath{'}}$ Hubbard model and find a nontrivial renormalization of the topology of the underlying Fermi surface close to the Mott insulator. Moreover, we observe a sharp crossover region, which arises from the metal-insulator transition, from a weakly interacting metal at small coupling to a resonating valence-bond superconductor at intermediate coupling. A violation of the Luttinger theorem is detected at low hole dopings.
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 ttt-JJJ model to compute approximate Green's 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 kkk-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 strongly and the spectral function with nonvanishing next-nearest-neighbor hopping in the underdoped region is in good agreement with angle-resolved photoelectron spectroscopy in the cuprates.
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.
The crossover from conventional Fermi-liquid (FL) behavior to the Luttinger-liquid-like behavior in the two-dimensional single-band small-U Hubbard model near half filling is demonstrated. The applicability of the FL picture is discussed. This crossover is reproduced in the fermionic channel of the t-J model, if the fermion-fermion interaction is taken into account. The results are in qualitative agreement with the normal-state resistivity and photoemission data on the high-Tc{\mathit{T}}_{\mathit{c}}Tc​ cuprates.