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arXiv:1908.08797 · Physical review. B./Physical review. B

Dynamical slave-boson mean-field study of the Mott transition in the Hubbard model in the large- z limit

Sen Zhou, Long Liang, Ziqiang Wang

Published Jan 6, 2020• 7 citations
arXivHTMLPDF

Abstract

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 $z$ 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 $1/\sqrt{z}$ and becomes exact on the infinite-$z$ 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 ${U}_{c}$ and the corresponding doublon density ${n}_{d}^{c}$, 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 ${U}_{\mathrm{BR}}$ 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 $U(1)$ quantum spin liquid with nonzero intersite spinon hopping that survives the large-$z$ limit and lifts the ${2}^{N}$-fold degeneracy of the local moments. We show that the spinons are coupled to the doublons/holons by a dissipative compact $U(1)$ gauge field in the deconfined phase, realizing the spin-charge separated gapless spin liquid Mott insulator.

DOI
10.1103/physrevb.101.035106

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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 \ensuremathχdc{\ensuremath{\chi}}_{d}^{c}\ensuremathχdc​ and doublon-holon pairing \ensuremathΔdc{\mathrm{\ensuremath{\Delta}}}_{d}^{c}\ensuremathΔdc​ amplitudes. We find Uc=UBR[1\ensuremath−2ndc\ensuremath−z(\ensuremathχdc+\ensuremathΔdc)]\ensuremath≃0.8UBR{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}}Uc​=UBR​[1\ensuremath−2ndc​\ensuremath−z​(\ensuremathχdc​+\ensuremathΔdc​)]\ensuremath≃0.8UBR​, 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.
An analytical solution of the Mott transition is obtained for the Hubbard model on the Bethe lattice in the large coordination number (zzz) limit. The excitonic binding of doublons (doubly occupied sites) and holons (empty sites) is shown to be the origin of a continuous Mott transition between a metal and an emergent quantum spin liquid insulator. The doublon-holon binding theory enables a different large-zzz limit and a different phase structure than the dynamical meanfield theory by allowing intersite spinon correlations to lift the 2N2^N2N-fold degeneracy of the local moments in the insulating phase. We show that the spinons are coupled to doublons/holons by a dissipative compact U(1) gauge field that is in the deconfined phase, stabilizing the spin-charge separated gapless spin liquid Mott insulator.
The Mott transition plays a key role in strongly correlated physics, but its nature is not yet fully understood. Motivated by the recent development of the Schwinger boson approach for the Kondo lattice, we propose in this paper a slave fermion algorithm to study the Mott transition. Upon local approximation, our method yields a phase diagram with a zero-temperature continuous (Mott) metal-insulator transition at finite Coulomb interaction UUU for the half-filled one-band Hubbard model on a square lattice, and the resistivity exhibits a critical scaling around the quantum Widom line. We argue that the Mott transition may be associated with a dynamic charge Kondo effect of local degenerate doublon and holon states, causing sharp resonances on the doublon, holon, and electron spectra. The transition is pushed to U=0U=0U=0 once intersite antiferromagnetic correlations are included, in agreement with exact numerical calculations. Our approach captures some essential features of the Mott transition and offers an alternative angle to view this important problem. It can be extended to study other correlated electron models with more complicated local interactions.
We introduce a slave-fermion formulation in which to study the charge dynamics of the half-filled Hubbard model on the square lattice. In this description, the charge degrees of freedom are represented by fermionic holons and doublons and the Mott-insulating characteristics of the ground state are the consequence of holon–doublon bound-state formation. The bosonic spin degrees of freedom are described by the antiferromagnetic Heisenberg model, yielding long-ranged (Néel) magnetic order at zero temperature. Within this framework and in the self-consistent Born approximation, we perform systematic calculations of the average double occupancy, the electronic density of states, the spectral function and the optical conductivity. Qualitatively, our method reproduces the lower and upper Hubbard bands, the spectral-weight transfer into a coherent quasiparticle band at their lower edges and the renormalisation of the Mott gap, which is associated with holon–doublon binding, due to the interactions of both quasiparticle species with the magnons. The zeros of the Green function at the chemical potential give the Luttinger volume, the poles of the self-energy reflect the underlying quasiparticle dispersion with a spin-renormalised hopping parameter and the optical gap is directly related to the Mott gap. Quantitatively, the square-lattice Hubbard model is one of the best-characterised problems in correlated condensed matter and many numerical calculations, all with different strengths and weaknesses, exist with which to benchmark our approach. From the semi-quantitative accuracy of our results for all but the weakest interaction strengths, we conclude that a self-consistent treatment of the spin-fluctuation effects on the charge degrees of freedom captures all the essential physics of the antiferromagnetic Mott–Hubbard insulator. We remark in addition that an analytical approximation with these properties serves a vital function in developing a full understanding of the fundamental physics of the Mott state, both in the antiferromagnetic insulator and at finite temperatures and dopings.
The main flaw of the well-known Brinkman-Rice description, obtained through the Gutzwiller approximation, of the paramagnetic Mott transition in the Hubbard model is in neglecting high-energy virtual processes that generate, for instance, the antiferromagnetic exchange $J\ensuremath{\sim}{t}^{2}/U$. Here, we propose a way to capture those processes by combining the Brinkman-Rice approach with a variational Schrieffer-Wolff transformation, and apply this method to study the single-band metal-to-insulator transition in a Bethe lattice with infinite coordination number, where the Gutzwiller approximation becomes exact. We indeed find for the Mott transition a description very close to the real one provided by the dynamical mean-field theory, an encouraging result in view of possible applications to more involved models.
The cluster slave-spin method is introduced to systematically investigate the solutions of the Hubbard model including the symmetry-broken phases. In this method, the electron operator is factorized into a fermionic spinon describing the physical spin and a slave-spin describing the charge fluctuations. Following the U(1)U(1)U(1) formalism derived by Yu and Si [Phys. Rev. B 86, 085104 (2012)], it is shown that the self-consistent equations to explore various symmetry-broken density wave states can be constructed in general with a cluster of multiple slave-spin sites. We employ this method to study the antiferromagnetic (AFM) state in the single band Hubbard model with the two- and four-site clusters of slave spins. While the Hubbard gap, the charge gap due to the doubly occupied states, scales with the Hubbard interaction UUU as expected, the AFM gap $\mathrm{\ensuremath{\Delta}}$, the gap in the spinon dispersion in the AFM state, exhibits a crossover from the weak- to strong-coupling behaviors as UUU increases. Our cluster slave-spin method reproduces not only the traditional mean-field behavior of $\mathrm{\ensuremath{\Delta}}\ensuremath{\sim}U$ in the weak-coupling limit, but also the behavior of $\mathrm{\ensuremath{\Delta}}\ensuremath{\sim}{t}^{2}/U$ predicted by the superexchange mechanism in the strong-coupling limit. In addition, the holon-doublon correlator as functions of UUU and doping xxx is also computed, which exhibits a strong tendency toward the holon-doublon binding in the strong coupling regime. We further show that the quasiparticle weight obtained by the cluster slave-spin method is in a good agreement with the generalized Gutzwiller approximation in both AFM and paramagnetic states, and the results can be improved beyond the generalized Gutzwiller approximation as the cluster is enlarged from a single site to four sites. Our results demonstrate that the cluster slave-spin method can be a powerful tool to systematically investigate the strongly correlated system.
We construct a new U(1) slave-spin representation for the single-band Hubbard model in the large-U limit. The mean-field theory in this representation is more amenable to describe both the spin-charge-separation physics of the Mott insulator at half-filling and the strange metal behavior at finite doping. By employing a dynamical Green’s function theory for slave spins, we calculate the single-particle spectral function of electrons. The result is comparable to that in dynamical mean field theories. We then formulate a dynamical t/U expansion for the doped Hubbard model that reproduces the mean-field results at the lowest order of expansion. To the next order of expansion, it naturally yields an effective low-energy theory of a t–J model for spinons self-consistently coupled to an XXZ model for the slave spins. We show that the superexchange J is renormalized by doping, in agreement with the Gutzwiller approximation. Surprisingly, we find a new ferromagnetic channel of exchange interactions which survives in the infinite U limit, as a manifestation of the Nagaoka ferromagnetism.