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arXiv:1111.5371 · Journal of the Physical Society of Japan

Transport Criticality in Triangular Lattice Hubbard Model

Toshihiro Sato, Kazumasa Hattori, Hirokazu Tsunetsugu

Published Jul 17, 2012• 8 citations
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Abstract

We study electric transport near the Mott metal-insulator transition. Optical conductivity of the half-filled Hubbard model on a triangular lattice is calculated based on a cellular dynamical mean field theory including vertex corrections inside the cluster. By investigating the spectrum at low frequencies, we find that a Drude peak on the metallic side smoothly connects to an "ingap" peak on the insulating side. The optical weight of these peaks exhibits a critical behavior with power-law near the Mott critical end point, $|D-D^*|\propto|U-U^*|^{1/δ}$. We find that the critical exponent $1/δ$ differs from the exponents in the thermodynamics.

DOI
10.1143/jpsj.81.083703

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We study electric transport near the Mott metal-insulator transition. Optical conductivity of the half-filled Hubbard model on a triangular lattice is calculated based on a cellular dynamical mean field theory including vertex corrections inside the cluster. By investigating the spectrum at low frequencies, we find that a Drude peak on the metallic side smoothly connects to an "ingap" peak on the insulating side. The optical weight of these peaks exhibits a critical behavior with power-law near the Mott critical end point, ∣D−D∗∣∝∣U−U∗∣1/δ|D-D^*|\propto|U-U^*|^{1/δ}∣D−D∗∣∝∣U−U∗∣1/δ. We find that the critical exponent 1/δ1/δ1/δ differs from the exponents in the thermodynamics.
We study electric transport near the Mott metal-insulator transition in a triangular-lattice Hubbard model at half filling. We calculate optical conductivity $\ensuremath{\sigma}(\ensuremath{\omega})$ based on a cellular dynamical mean-field theory including vertex corrections inside the cluster. Near the Mott critical end point, a Drude analysis in the metallic region suggests that the change in the Drude weight is important rather than that in the transport scattering rate for the Mott transition. In the insulating region, there emerges an ``in-gap'' peak in $\ensuremath{\sigma}(\ensuremath{\omega})$ at low $\ensuremath{\omega}$ near the Mott transition, and this smoothly connects to the Drude peak in the metallic region with decreasing Coulomb repulsion. We find that the weight of these peaks exhibits a power-law behavior upon controlling Coulomb repulsion at the critical temperature. The obtained critical exponent suggests that conductivity does not correspond to magnetization or energy density of the Ising universality class in contrast to several previous works.
We numerically study optical conductivity $\ensuremath{\sigma}(\ensuremath{\omega})$ near the ``antiferromagnetic'' phase transition in the square-lattice Hubbard model at half filling. We use a cluster dynamical mean field theory and calculate conductivity including vertex corrections and, to this end, we have reformulated the vertex corrections in the antiferromagnetic phase. We find that the vertex corrections change various important details in temperature and $\ensuremath{\omega}$ dependencies of conductivity in the square lattice, and this contrasts sharply the case of the Mott transition in the frustrated triangular lattice. Generally, the vertex corrections enhance variations in the $\ensuremath{\omega}$ dependence, and sharpen the Drude peak and a high-$\ensuremath{\omega}$ incoherent peak in the paramagnetic phase. They also enhance the dip in $\ensuremath{\sigma}(\ensuremath{\omega})$ at $\ensuremath{\omega}=0$ in the antiferromagnetic phase. Therefore, the dc conductivity is enhanced in the paramagnetic phase and suppressed in the antiferromagnetic phase, but this change occurs slightly below the transition temperature. We also find a temperature region above the transition temperature in which the dc conductivity shows an insulating behavior but $\ensuremath{\sigma}(\ensuremath{\omega})$ retains the Drude peak, and this region is stabilized by the vertex corrections. We also investigate which fluctuations are important in the vertex corrections and analyze momentum dependence of the vertex function in detail.
Recent studies of electrical transport, both theoretical and experimental, near the bandwidth-tuned Mott metal-insulator transition have uncovered apparent quantum critical scaling of the electrical resistivity at elevated temperatures, despite the fact that the actual low-temperature phase transition is of first order. This raises the question whether there is a hidden Mott quantum critical point. Here we argue that the dynamical mean-field theory of the Hubbard model admits, in the low-temperature limit, asymptotically scale-invariant (i.e., power-law) solutions, corresponding to the metastable insulator at the boundary of the metal-insulator coexistence region; these solutions can be linked to the physics of the pseudogap Anderson model. While our state-of-the-art numerical renormalization-group calculations reveal that this asymptotic regime is restricted to very small energies and temperatures and hence is difficult to access numerically, we uncover the existence of a wide crossover regime where the single-particle spectrum displays a different power law. We show that it is this power-law regime, corresponding to approximate local quantum criticality, which is continuously connected to and responsible for the apparent quantum critical scaling above the classical critical end point. We connect our findings to experiments on tunable Mott materials.
We numerically study optical conductivity σ(ω)σ(ω)σ(ω) near the "antiferromagnetic" phase transition in the square-lattice Hubbard model at half filling. We use a cluster dynamical mean field theory and calculate conductivity including vertex corrections, and to this end, we have reformulated the vertex corrections in the antiferromagnetic phase. We find that the vertex corrections change various important details in temperature- and ωωω-dependencies of conductivity in the square lattice, and this contrasts sharply the case of the Mott transition in the frustrated triangular lattice. Generally, the vertex corrections enhance variations in the ωωω-dependence, and sharpen the Drude peak and a high-ωωω incoherent peak in the paramagnetic phase. They also enhance the dip in σ(ω)σ(ω)σ(ω) at ωωω=0 in the antiferromagnetic phase. Therefore, the dc conductivity is enhanced in the paramagnetic phase and suppressed in the antiferromagnetic phase, but this change occurs slightly below the transition temperature. We also find a temperature region above the transition temperature in which the dc conductivity shows an insulating behavior but σ(ω)σ(ω)σ(ω) retains the Drude peak, and this region is stabilized by the vertex corrections. We also investigate which fluctuations are important in the vertex corrections and analyze momentum dependence of the vertex function in detail.
High-temperature bad-metal transport has been recently studied both theoretically and in experiments as one of the key signatures of strong electronic correlations. Here we use the dynamical mean field theory and its cluster extensions, as well as the finite-temperature Lanczos method to explore the influence of lattice frustration on the thermodynamic and transport properties of the Hubbard model at high temperatures. We consider the triangular and the square lattices at half-filling and at 15% hole doping. We find that for $T\ensuremath{\gtrsim}1.5t$ the self-energy becomes practically local, while the finite-size effects become small at lattice size $4\ifmmode\times\else\texttimes\fi{}4$ for both lattice types and doping levels. The vertex corrections to optical conductivity, which are significant on the square lattice even at high temperatures, contribute less on the triangular lattice. We find approximately linear temperature dependence of dc resistivity in doped Mott insulator for both types of lattices.
The Mott transition is observed experimentally in materials that are magnetically frustrated so that long-range order does not hide the Mott transition at finite temperature. The Hubbard model on the triangular lattice at half filling is a paradigmatic model to study the interplay of interactions and frustration on the normal-state phase diagram. We use the dynamical cluster approximation with continuous-time auxiliary-field quantum Monte Carlo to solve this model for 1-, 4-, 6-, 12-, and 16-site clusters with detailed analysis performed for the 6-site cluster. We show that (a) for every cluster there is an inflection point in the double occupancy as a function of interaction, defining a Widom line that extends above the critical point of the first-order Mott transition; (b) the presence of this line and the cluster size dependence argue for the observability of the Mott transition at finite temperature in the thermodynamic limit; and (c) the loss of spectral weight in the metal-to-Mott-insulator transition as a function of temperature and for strong interactions is momentum dependent, the hallmark of a pseudogap. That pseudogap spans a large region of the phase diagram near the Mott transition.