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arXiv:cond-mat/9501077 · Physical review. B, Condensed matter

Analytic treatment of Mott-Hubbard transition in the half-filled Hubbard model and its thermodynamics

Jongbae Hong, Hae‐Young Kee

Published Jul 15, 1995• 20 citations
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Abstract

The Mott-Hubbard transition in the half-filled Hubbard model is studied analytically on a Bethe lattice for the paramagnetic state and the classical N\'eel state. The single-particle density of states is obtained by calculating the one-particle Green's function represented by the Lanczos infinite continued fraction. The paramagnetic solution shows that the Mott-Hubbard transition is signaled by both collapsing Hubbard bands at ${\mathit{U}}_{\mathit{c}}$=2${\mathit{t}}_{\mathrm{*}}$ and a sharp Lorentzian peak appearing at midgap at U${\mathit{U}}_{\mathit{c}}$. For the N\'eel state, however, the system becomes an insulator for U>0. We also obtain the specific heat and entropy for both the metallic and insulating regimes. Our analytic work reproduces the key results obtained by numerical method in infinite dimensions.

DOI
10.1103/physrevb.52.2415

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The Mott-Hubbard transition in the half-filled Hubbard model is studied analytically on a Bethe lattice for the paramagnetic state and the classical N'eel state. The single-particle density of states is obtained by calculating the one-particle Green's function represented by the Lanczos infinite continued fraction. The paramagnetic solution shows that the Mott-Hubbard transition is signaled by both collapsing Hubbard bands at Uc{\mathit{U}}_{\mathit{c}}Uc​=2t∗{\mathit{t}}_{\mathrm{*}}t∗​ and a sharp Lorentzian peak appearing at midgap at UUc{\mathit{U}}_{\mathit{c}}Uc​. For the N'eel state, however, the system becomes an insulator for U>0. We also obtain the specific heat and entropy for both the metallic and insulating regimes. Our analytic work reproduces the key results obtained by numerical method in infinite dimensions.
A detailed quantitative study of the physical properties of the infinite-dimensional Hubbard model at half filling is presented. The method makes use of an exact mapping onto a single-impurity model supplemented by a self-consistency condition. This coupled problem is solved numerically. Results for thermodynamic quantities (specific heat, entropy, . . .), one-particle spectral properties, and magnetic properties (response to a uniform magnetic field) are presented and discussed. The nature of the Mott-Hubbard metal-insulator transition found in this model is investigated. A numerical solution of the mean-field equations inside the antiferromagnetic phase is also reported.
A new nonperturbative method calculating the one-particle Green's function is introduced and applied to the Hubbard model. We show the metal–insulator transition in the paramagnetic ground state of the half-filled Hubbard model on a Bethe lattice with infinite connectivity. This method describes the transition regime appropriately. The analytic result using the continued fraction formalism which has a close relationship with present formalism is provided for comparison. As for the Hubbard model with doping, we obtain the optical conductivities and show the interesting features, such as midinfrared band and isobestic point. We also show that the sharp frequency-dependent behavior at large doping is the dispersed Drude type in this model.
In order to investigate the thermal properties (specific heat, magnetic susceptibility, entropy, internal energy, and some correlation functions) of the one-dimensional half-filled-band Hubbard model, we have studied linear chains and rings containing two to six atoms, by performing machine calculations. Supplementing the low-temperature behavior obtained from the exact solution for the infinite chain by Lieb and Wu, our results should be suggestive of the properties of the infinite system throughout the entire temperature domain. It is shown that when the ratio of the correlation energy UUU to the total width $\ensuremath{\Delta}$ of the band of single-particle excitations is larger than 1, the specific heat has two peaks. The high-temperature peak arises from the gradual metal-insulator transition (or the gradual formation of local moments), while the low-temperature peak is associated with the antiferromagnetic short-range ordering. When $\frac{U}{\ensuremath{\Delta}}$ becomes small, the two peaks merge into one. This picture is consistent with all other thermal properties, including correlation functions. The high-temperature properties are compared with the results predicted by Hubbard's approximate theory based on the truncation of the equations of motion of the Green's functions.
We study the nature of metal-insulator transition in the paramagnetic state for the Hubbard model on the Bethe lattice. The single-particle density of states is calculated via the operator Lanczos method. Our study shows that the metal-insulator transition is continuous and there is no preformed gap. The quasiparticle weight vanishes linearly with the distance from the transition point (Uc){(U}_{c})(Uc​) in agreement with results of iterative perturbation theory and exact diagonalization method. Our Uc{U}_{c}Uc​ is comparable to that by the random dispersion approximation. Our result indicates non-Fermi-liquid feature at the transition point.