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Variational study of Fermi-surface deformations in Hubbard models

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 Publication date 2011
  fields Physics
and research's language is English




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We study the correlation-induced deformation of Fermi surfaces by means of a new diagrammatic method which allows for the analytical evaluation of Gutzwiller wave functions in finite dimensions. In agreement with renormalization-group results we find Pomeranchuk instabilities in two-dimensional Hubbard models for sufficiently large Coulomb interactions.



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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.
We present a generalization of the recently proposed variational cluster perturbation theory to extended Hubbard models at half filling with repulsive nearest neighbor interaction. The method takes into account short-range correlations correctly by the exact diagonalisation of clusters of finite size, whereas long-range order beyond the size of the clusters is treated on a mean-field level. For one dimension, we show that quantum Monte Carlo and density-matrix renormalization-group results can be reproduced with very good accuracy. Moreover we apply the method to the two-dimensional extended Hubbard model on a square lattice. In contrast to the one-dimensional case, a first order phase transition between spin density wave phase and charge density wave phase is found as function of the nearest-neighbor interaction at onsite interactions U>=3t. The single-particle spectral function is calculated for both the one-dimensional and the two-dimensional system.
The nonequilibrium variational-cluster approach is applied to study the real-time dynamics of the double occupancy in the one-dimensional Fermi-Hubbard model after different fast changes of hopping parameters. A simple reference system, consisting of isolated Hubbard dimers, is used to discuss different aspects of the numerical implementation of the approach in the general framework of nonequilibrium self-energy functional theory. Opposed to a direct solution of the Euler equation, its time derivative is found to serve as numerically tractable and stable conditional equation to fix the time-dependent variational parameters.
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.
271 - R.Eder , K.Seki , Y.Ohta 2011
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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