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arXiv:cond-mat/9312031 · Europhysics Letters (EPL)

The Mott-Hubbard Transition on the D = ∞ Bethe Lattice

Claudius Gros, Wolfgang Wenzel, Roser Valentí, Georg Hülsenbeck, Joachim Stolze

Published Aug 1, 1994• 11 citations
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Abstract

In view of a recent controversy we investigated the Mott-Hubbard transition in D = ∞ with a novel cluster approach. i) We show that any truncated Bethe lattice of order n can be mapped exactly to a finite, Hubbard-like cluster. ii) We evaluate the self-energy numerically for n = 0, 1, 2 and compare with a series of self-consistent equation-of-motion solutions. iii) We find the gap to open continuously at the critical U c ∼ 2.5 t * ( t ≡ t * /√(4 d )). iv) A low-energy theory for the Mott-Hubbard transition is developed and relations between critical exponents are presented.

DOI
10.1209/0295-5075/27/4/008

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Physical review. B, Condensed matter•Dec 1, 1980•112 citations
In view of a recent controversy we investigated the Mott-Hubbard transition in D = ∞ with a novel cluster approach. i) We show that any truncated Bethe lattice of order n can be mapped exactly to a finite, Hubbard-like cluster. ii) We evaluate the self-energy numerically for n = 0, 1, 2 and compare with a series of self-consistent equation-of-motion solutions. iii) We find the gap to open continuously at the critical U c ∼ 2.5 t * ( t ≡ t * /√(4 d )). iv) A low-energy theory for the Mott-Hubbard transition is developed and relations between critical exponents are presented.
We consider the Hubbard model on the infinite-dimensional Bethe lattice and construct a systematic series of self-consistent approximations to the one-particle Green's function, G(n){\mathit{G}}^{(\mathit{n})}G(n)(\ensuremath{\omega}), n=2,3,.... The first n-1 equations of motion are exactly fullfilled by G(n){\mathit{G}}^{(\mathit{n})}G(n)(\ensuremath{\omega}) and the nth equation of motion is decoupled following a simple set of decoupling rules. G(2){\mathit{G}}^{(2)}G(2)(\ensuremath{\omega}) corresponds to the Hubbard-III approximation. We present analytic and numerical results for the Mott-Hubbard transition at half filling for n=2,3,4.
The exact solution of a quantum Bethe lattice model in the thermodynamic limit amounts to solve a functional self-consistent equation. In this paper we obtain this equation for the Bose-Hubbard model on the Bethe lattice, under two equivalent forms. The first one, based on a coherent-state path integral, leads in the large connectivity limit to the mean-field treatment of Fisher et al. [Phys. Rev. B 40, 546 (1989)] at the leading order, and to the bosonic dynamical mean field theory as a first correction, as recently derived by Byczuk and Vollhardt [Phys. Rev. B 77, 235106 (2008)]. We obtain an alternative form of the equation using the occupation number representation, which can be easily solved with an arbitrary numerical precision, for any finite connectivity. We thus compute the transition line between the superfluid and Mott insulator phases of the model, along with thermodynamic observables and the space and imaginary-time dependence of correlation functions. The finite connectivity of the Bethe lattice induces a richer physical content with respect to its infinitely connected counterpart: a notion of distance between sites of the lattice is preserved, and the bosons are still weakly mobile in the Mott insulator phase. The Bethe lattice construction can be viewed as an approximation to the finite-dimensional version of the model. We show indeed a quantitatively reasonable agreement between our predictions and the results of Quantum Monte Carlo simulations in two and three dimensions.
Wilson's numerical renormalization group method for the calculation of dynamic properties of impurity models is generalized to investigate the effective impurity model of the dynamical mean-field theory at finite temperatures. We calculate the spectral function and self-energy for the Hubbard model on a Bethe lattice with infinite coordination number directly on the real-frequency axis and investigate the phase diagram for the Mott-Hubbard metal-insulator transition. While for $T<{T}_{\mathrm{c}}\ensuremath{\approx}0.02W$ (W:(W:(W: bandwidth) we find hysteresis with first-order transitions both at Uc1{U}_{\mathrm{c}1}Uc1​ (defining the insulator to metal transition) and at Uc2{U}_{\mathrm{c}2}Uc2​ (defining the metal to insulator transition), at T>TcT>{T}_{\mathrm{c}}T>Tc​ there is a smooth crossover from metalliclike to insulatinglike solutions.
The Mott metal-insulator transition in the Hubbard model is studied by constructing a dynamical slave-boson mean-field theory in the limit of large lattice coordination number zzz that incorporates the binding between doubly occupied (doublon) and empty (holon) sites. On the Mott insulating side where all doublons and holons bond in real space into excitonic pairs leading to the charge gap, the theory simplifies considerably to leading order in 1/z1/\sqrt{z}1/z​ and becomes exact on the infinite-zzz Bethe lattice. An asymptotic solution is obtained for a continuous Mott transition associated with the closing of the charge gap at a critical value of the Hubbard Uc{U}_{c}Uc​ and the corresponding doublon density ndc{n}_{d}^{c}ndc​, hopping ${\ensuremath{\chi}}_{d}^{c}$ and doublon-holon pairing ${\mathrm{\ensuremath{\Delta}}}_{d}^{c}$ amplitudes. We find ${U}_{c}={U}_{\mathrm{BR}}[1\ensuremath{-}2{n}_{d}^{c}\ensuremath{-}\sqrt{z}({\ensuremath{\chi}}_{d}^{c}+{\mathrm{\ensuremath{\Delta}}}_{d}^{c})]\ensuremath{\simeq}0.8{U}_{\mathrm{BR}}$, where UBR{U}_{\mathrm{BR}}UBR​ is the critical value for the Brinkman-Rice transition in the Gutzwiller approximation captured in the static mean-field solution of the slave-boson formulation of Kotliar and Ruckenstein. Thus, the Mott transition can be viewed as the quantum correction to the Brinkman-Rice transition due to doublon-holon binding. Quantitative comparisons are made to the results of the dynamical mean-field theory, showing good agreement. In the absence of magnetic order, the Mott insulator is a U(1)U(1)U(1) quantum spin liquid with nonzero intersite spinon hopping that survives the large-zzz limit and lifts the 2N{2}^{N}2N-fold degeneracy of the local moments. We show that the spinons are coupled to the doublons/holons by a dissipative compact U(1)U(1)U(1) gauge field in the deconfined phase, realizing the spin-charge separated gapless spin liquid Mott insulator.
We calculate the one-particle density of states for the Mott-Hubbard insulating phase of the Hubbard model on a Bethe lattice in the limit of infinite coordination number. We employ the Kato-Takahashi perturbation theory around the strong-coupling limit to derive the Green function. We show that the Green function for the lower Hubbard band can be expressed in terms of polynomials in the bare hole-hopping operator. We check our technique against the exact solution of the Falicov-Kimball model and give explicit results up to and including second order in the inverse Hubbard interaction. Our results provide a stringent test for analytical and numerical investigations of the Mott-Hubbard insulator and the Mott-Hubbard transition within the dynamical mean-field theory. We find that the Hubbard-III approximation is not satisfactory beyond lowest order, but the local-moment approach provides a very good description of the Mott-Hubbard insulator at strong coupling.
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.