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arXiv:cond-mat/9810222 · Physical Review Letters

Mott-Hubbard Transition in Infinite Dimensions

R. M. Noack, Florian Gebhard

Published Mar 1, 1999• 44 citations
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Abstract

We calculate the zero-temperature gap and quasiparticle weight of the half-filled Hubbard model with a random dispersion relation. After extrapolation to the thermodynamic limit, we obtain reliable bounds on these quantities for the Hubbard model in infinite dimensions. Our data indicate that the Mott-Hubbard transition is continuous; i.e., the quasiparticle weight becomes zero at the same critical interaction strength at which the gap opens.

DOI
10.1103/physrevlett.82.1915

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We calculate the zero-temperature gap and quasiparticle weight of the half-filled Hubbard model with a random dispersion relation. After extrapolation to the thermodynamic limit, we obtain reliable bounds on these quantities for the Hubbard model in infinite dimensions. Our data indicate that the Mott-Hubbard transition is continuous; i.e., the quasiparticle weight becomes zero at the same critical interaction strength at which the gap opens.
We analyse the thermodynamic Bethe Ansatz equations of the one-dimensional half-filled Hubbard model in the ‘spin-disordered regime’, which is characterized by the temperature being much larger than the magnetic energy scale, but small compared to the Mott–Hubbard gap. In this regime the thermodynamics of the Hubbard model can be thought of in terms of gapped charged excitations with an effective dispersion and spin degrees of freedom that only contribute entropically. In particular, the internal energy and the effective dispersion become essentially independent of temperature. An interpretation of this regime in terms of a putative interacting-electron system at zero temperature leads to a metal–insulator transition at a finite interaction strength above which the gap opens linearly. We relate these observations to studies of the Mott–Hubbard transition in the limit of infinite dimensions.
We study the Mott transition in the two dimensional Hubbard model by using the variational cluster approximation. The transition potential obtained is roughly Uc ≈ 2 and 6 for square and triangular lattices, respectively. A comparison between results of this approximation and other quantum cluster methods is presented. Our zero-temperature calculation at strong coupling show that the transition on the triangular and square lattices occur at lower values of compared with other numerical techniques such as DMFT, CDMFT, and DCA. We also study the thermodynamic limit by an extrapolation to infinite size.
Using the quantum Monte Carlo technique we compute thermodynamics and spectra for the orbitally degenerate Hubbard model in infinite spatial dimensions. With increasing orbital degeneracy we find in the one-particle spectra broader Hubbard bands (consistent with increased kinetic energy), a narrowing Mott gap, and increasing quasiparticle spectral weight. Hund's rule exchange coupling decreases the critical on-site Coulomb energy for the Mott transition. The metallic regime resistivity for twofold degeneracy is quadratic in temperature at low temperatures.
We apply the density-matrix renormalization group (DMRG) method to a one-dimensional Hubbard model that lacks Umklapp scattering and thus provides an ideal case to study the Mott-Hubbard transition analytically and numerically. The model has a linear dispersion and displays a metal-to-insulator transition when the Hubbard interaction UUU equals the bandwidth Uc=W{U}_{\mathrm{c}}=WUc​=W, where the single-particle gap opens linearly, $\mathrm{\ensuremath{\Delta}}(U\ensuremath{\ge}W)=U\ensuremath{-}W$. The simple nature of the elementary excitations permits us to determine numerically with high accuracy the critical interaction strength and the gap function in the thermodynamic limit. The jump discontinuity of the momentum distribution nk{n}_{k}nk​ at the Fermi wave number kF=0{k}_{\mathrm{F}}=0kF​=0 cannot be used to locate accurately Uc{U}_{\mathrm{c}}Uc​ from finite-size systems. However, the slope of nk{n}_{k}nk​ at the band edges ${k}_{\mathrm{B}}=\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}$, reveals the formation of a single-particle bound state which can be used to determine Uc{U}_{\mathrm{c}}Uc​ reliably from nk{n}_{k}nk​ using accurate finite-size data.