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arXiv:cond-mat/0604155 · Physical Review B

Electronic state of a doped Mott-Hubbard insulator at finite temperatures studied using the dynamical mean-field theory

Alberto Camjayi, R. Chitra, Marcelo J. Rozenberg

Published Jan 19, 2006• 18 citations
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Abstract

We study the electronic state of the doped Mott-Hubbard insulator within the dynamical mean field theory. The evolution of the finite temperature spectral functions as a function of doping show large redistributions of spectral weight in both antiferromagnetic and paramagnetic phases. In particular, a metallic antiferromagnetic state is obtained with a low frequency Slater-splitted quasiparticle peak coexisting with Hubbard bands. In the high temperature paramagnetic metallic phase, upon reducing doping, the system has a crossover through a ``bad metal'' state characterized by an anomalous shift of the quasiparticle peak away from the Fermi energy. We find that the charge compressibility of the antiferromagnetic metal is dramatically enhanced upon approaching the second order N\'eel line.

DOI
10.1103/physrevb.73.041103

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We study the electronic state of the doped Mott-Hubbard insulator within the dynamical mean field theory. The evolution of the finite temperature spectral functions as a function of doping show large redistributions of spectral weight in both antiferromagnetic and paramagnetic phases. In particular, a metallic antiferromagnetic state is obtained with a low frequency Slater-splitted quasiparticle peak coexisting with Hubbard bands. In the high temperature paramagnetic metallic phase, upon reducing doping, the system has a crossover through a ``bad metal'' state characterized by an anomalous shift of the quasiparticle peak away from the Fermi energy. We find that the charge compressibility of the antiferromagnetic metal is dramatically enhanced upon approaching the second order N'eel line.
We use the Kotliar-Ruckenstein slave boson formalism to study the phase diagram of the doped antiferromagnetic Mott insulator at zero and finite temperatures. We obtain the commensurate magnetic phase diagram as a function of doping and temperature. At higher doping and temperatures we find a paramagnetic metallic phase. Reducing doping and temperature, we find antiferromagnetic phases with both metallic and insulating solutions. We calculate the electronic density of states in various regions of the phase diagram. We use our results for the electronic compressibility and magnetic susceptibility to analyze the stability of the various phases obtained within this mean field formalism. We find various parameter regimes where the method fails to provide physical solutions. We argue that those regions correspond to more exotic phases that cannot be described within the current mean field theory.
We study the filling-driven Mott transition involving the metallic and paramagnetic insulating phases in SU(N)\mathrm{SU}(N)SU(N) Fermi-Hubbard models, using the dynamical mean-field theory and the numerical renormalization group as its impurity solver. The compressibility shows a striking temperature dependence: near the critical end-point temperature, it is strongly enhanced in the metallic phase close to the insulating phase. We demonstrate that this compressibility enhancement is associated with the thermal suppression of the quasiparticle peak in the local spectral functions. We also explain that the asymmetric shape of the quasiparticle peak originates from the asymmetry in the dynamics of the generalized doublons and holons.
We address the nature of the Mott transition in the Hubbard model at half-filling using cluster dynamical mean field theory (DMFT). We compare cluster-DMFT results with those of single-site DMFT. We show that inclusion of the short-range correlations on top of the on-site correlations does not change the order of the transition between the paramagnetic metal and the paramagnetic Mott insulator, which remains first order. However, the short range correlations reduce substantially the critical U and modify the shape of the transition lines. Moreover, they lead to very different physical properties of the metallic and insulating phases near the transition point. Approaching the transition from the metallic side, we find an anomalous metallic state with very low coherence scale. The insulating state is characterized by the narrow Mott gap with pronounced peaks at the gap edge.
A powerful diagrammatic impurity solver is shown to permit a systematic study of the doping-driven Mott transition in a one-band Hubbard model within the framework of single-site dynamical mean-field theory. At small dopings and large interaction strengths, we are able to access low enough temperatures that a reliable extrapolation to temperature T=0T=0T=0 may be performed, and ground state energies of insulating and metallic states may be compared. We find that the T=0T=0T=0 doping-driven transition is of second order and is characterized by an interaction-strength dependent electronic compressibility, which vanishes at the critical interaction strength of the half filled model. Over wide parameter ranges, the compressibility is substantially reduced relative to the noninteracting system. The metal-insulator transition is characterized by the appearance of in-gap states, but these are relevant only for very low dopings of less than 3%.
The evolution from an anomalous metallic phase to a Mott insulator within the two-dimensional Hubbard model is investigated by means of the cellular dynamical mean-field theory. We show that approaching the density-driven Mott metal-insulator transition the Fermi surface is strongly renormalized and the quasiparticle description breaks down in a very anisotropic fashion. Regions where the quasiparticles are strongly scattered (hot spots) and regions where the scattering rate is relatively weak (cold spot) form irrespective of whether the parent insulator has antiferromagnetic long-range order, while their location is not universal and is determined by the interplay of the renormalization of the scattering rate and the Fermi surface shape.
We study a two-band Hubbard model using the dynamical mean-field theory combined with the exact diagonalization method. At the electron density n=2n=2n=2, a transition from a band-insulator to a correlated semimetal occurs when the on-site Coulomb interaction UUU is varied for a fixed value of the charge-transfer energy ΔΔΔ. At low temperature, the correlated semimetal shows ferromagnetism or superconductivity. With increasing doping ∣n−2∣|n-2|∣n−2∣, the ferromagnetic transition temperature rapidly decreases and finally becomes zero at a critical value of nnn. The second-order phase transition occurs at high temperature, while a phase separation of ferromagnetic and paramagnetic states takes place at low temperature. The superconducting transition temperature gradually decreases and finally becomes zero near n=1n=1n=1 (n=3n=3n=3) where the system is Mott insulator which shows antiferromagnetism at low temperature.