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physica status solidi (b)

Mott Transition in the Two-Dimensional Hubbard Model

A. P�rez-Navarro, Joan Costa-Quintana, F. López‐Aguilar

Published Feb 1, 2000• 1 citation
Publisher

Abstract

We are interested in the description of the Mott-Hubbard transition from a perturbation theory arising from a two-dimensional Hubbard model. We calculate the self-energy within the random phase approximation and a double-Lorentzian as a non-interacting density of states. The paramagnetic ground state is unstable for realistic values of U, since the self-energy presents some inconsistencies; one of them is that its imaginary part presents more than one zero, which is a violation of the Luttinger theorem. We use a Bogolyubov transformation and within a spin density wave mean field, the antiferromagnetic correlations of wave vector Q = (π/a,π/a) are included. We recalculate the self-energy in the new ground state and then it is able to describe the Mott-Hubbard transition, and the Luttinger theorem is satisfied.

DOI
10.1002/(sici)1521-3951(200002)217:2<869::aid-pssb869>3.0.co;2-m

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We are interested in the description of the Mott-Hubbard transition from a perturbation theory arising from a two-dimensional Hubbard model. We calculate the self-energy within the random phase approximation and a double-Lorentzian as a non-interacting density of states. The paramagnetic ground state is unstable for realistic values of U, since the self-energy presents some inconsistencies; one of them is that its imaginary part presents more than one zero, which is a violation of the Luttinger theorem. We use a Bogolyubov transformation and within a spin density wave mean field, the antiferromagnetic correlations of wave vector Q = (π/a,π/a) are included. We recalculate the self-energy in the new ground state and then it is able to describe the Mott-Hubbard transition, and the Luttinger theorem is satisfied.
The Mott-Hubbard transition is studied in the context of the two-dimensional Hubbard model. Analytical calculations show the existence of a critical value Uc of the potential strength which separates a paramagnetic metallic phase from a paramagnetic insulating phase. Calculations of the density of states and double occupancy show that the ground state in the insulating phase contains always a small fraction of empty and doubly occupied sites. The structure of the ground state is studied by considering the probability amplitude of intersite hopping. The results indicate that the ground state of the Mott insulator is characterized by a local antiferromagnetic order; the electrons keep some mobility, but this mobility must be compatible with the local ordering. The vanishing of some intersite probability amplitudes at U=Uc puts a constrain on the electron mobility. It is suggested that such quantities might be taken as the quantities which control the order in the insulating phase.
The paramagnetic phase of the one-band Hubbard model is studied at zero-temperature, within the framework of dynamical mean-field theory, and for general particle-hole asymmetry where a doping-induced Mott transition occurs. Our primary focus is the Mott insulator (MI) phase, and our main aim to establish what can be shown exactly about it. To handle the locally doubly-degenerate MI requires two distinct self-energies, which reflect the broken symmetry nature of the phase and together determine the standard single self-energy. Exact results are obtained for the local charge, local magnetic moment and associated spin susceptibilities, the interaction-renormalised levels, and the low-energy behaviour of the self-energy in the MI phase. The metallic phase is also considered briefly, and shown to acquire an emergent particle-hole symmetry as the Mott transition is approached. Throughout the metal, Luttinger's theorem is reflected in the vanishing of the Luttinger integral; for the generic MI by contrast this is shown to be non-vanishing, but again to have a universal magnitude. Numerical results are also obtained using NRG, for the metal/MI phase boundary, the scaling behaviour of the charge as the Mott transition is aproached from the metal, and associated universal scaling of single-particle dynamics as the low-energy Kondo scale vanishes.
The ground state of the half-filled Hubbard model is studied using a real-space renormalization-group technique. We first study in detail the one-dimensional case. We find the ground state to be insulating for all finite coupling, in agreement with the exact solution. We compute the ground-state energy, localization length, energy gap, magnitude of the local moment, and spin-density autocorrelation function. For those quantities that are exactly known we find good agreement with the exact results. Using a simple extension of our one-dimensional calculation, we are able to study approximately two- and three-dimensional lattices. We find a Mott transition at finite interaction for these cases. The critical exponents for these transitions are found to satisfy an approximate interdimensional scaling law.
A scheme of symmetry breaking is proposed for the two-dimensional Hubbard model at less than half filling. The self-induced mean field is a random spin-dependent potential. The energy of the spin-disordered state is shown to be lower than that of commensurate or incommensurate antiferromagnetic states. Long-wavelength charge and spin fluctuations obey the diffusion equation, leading to deviations from Fermi-liquid behavior. At wave vector q=(\ensuremath{\pi},\ensuremath{\pi}) the transverse spin-excitation spectrum has a gap.
Electronic states in the two-dimensional Hubbard model are studied in the doped paramagnetic states by use of the auxiliary boson approach. Four auxiliary bosons are introduced by means of the Hubbard-Stratonovich transformation within the functional integral treatment. These bosons correspond to one charge and three spin fluctuations. An effective model is formulated. Going beyond the boson fluctuations around the saddle point, the single-electron Green's function including one-loop self-energy effects of fermion-boson interaction is derived. The behavior of the fermion self-energy, spectral functions, and density of states are investigated for several values of the Coulomb interaction UUU within the limit imposed by the Stoner criterion and also for small and moderate doping concentrations $\ensuremath{\delta}$. For small doping $(\ensuremath{\delta}=0.2)$, as UUU approaches a value determined by the Stoner criterion, the spin-boson spectrum has a striking low-energy enhancement around $\mathbf{q}\ensuremath{\sim}2{\mathbf{k}}_{F}.$ This enhancement of the spin fluctuation causes a non-Fermi-liquid-like low-energy $\ensuremath{\omega}$ linear dependence in the imaginary part of the self-energy. Due to the self-energy effects, band splittings and a band narrowing are produced in the spectral functions. As a consequence of this, the density of states has pseudogap structures around the quasiparticle band with a narrow bandwidth on the Fermi energy. These features seem to be precursors of the metal-insulator (Mott-Hubbard) transition and they might be related to the spin-gap phenomena observed in high-Tc{T}_{c}Tc​ materials. Our results for the density of states, the spectral function, and the band dispersions show qualitative agreement with the data of finite-size cluster simulations.
The density of states, the dynamic (optical) conductivity, and the phase diagram of the paramagnetic two-dimensional Anderson-Hubbard model with strong correlations and disorder are analyzed within the generalized dynamical mean field theory (DMFT + Σ approximation). Strong correlations are accounted by the DMFT, while disorder is taken into account via the appropriate generalization of the self-consistent theory of localization. We consider the two-dimensional system with the rectangular “bare” density of states (DOS). The DMFT effective single-impurity problem is solved by numerical renormalization group (NRG). The “correlated metal,” Mott insulator, and correlated Anderson insulator phases are identified from the evolution of the density of states, optical conductivity, and localization length, demonstrating both Mott-Hubbard and Anderson metal-insulator transitions in two-dimensional systems of finite size, allowing us to construct the complete zero-temperature phase diagram of the paramagnetic Anderson-Hubbard model. The localization length in our approximation is practically independent of the strength of Hubbard correlations. But the divergence of the localization length in a finite-size two-dimensional system at small disorder signifies the existence of an effective Anderson transition.