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arXiv:1605.00387 · Physical review. B./Physical review. B

Publisher's Note: Cluster dynamical mean field theory study of antiferromagnetic transition in the square-lattice Hubbard model: Optical conductivity and electronic structure [Phys. Rev. B94, 085110 (2016)]

Toshihiro Sato, Hirokazu Tsunetsugu

Published Aug 22, 2016• 4 citations
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Abstract

We numerically study optical conductivity $σ(ω)$ 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 $ω$-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 $ω$-dependence, and sharpen the Drude peak and a high-$ω$ incoherent peak in the paramagnetic phase. They also enhance the dip in $σ(ω)$ at $ω$=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 $σ(ω)$ 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.

DOI
10.1103/physrevb.94.079907

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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.
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.
The optical conductivity of the one-band Hubbard model is calculated using the ``dynamical cluster approximation'' implementation of dynamical mean-field theory for parameters appropriate to high-temperature copper-oxide superconductors. The calculation includes vertex corrections and the result demonstrates their importance. At densities of one electron per site, an insulating state is found with gap value and above-gap absorption consistent with measurements. As carriers are added the above-gap conductivity rapidly weakens and a three component structure emerges, with a low-frequency ``Drude'' peak, a mid-infrared absorption, and a remnant of the insulating gap. The mid-infrared feature obtained at intermediate dopings is shown to arise from a pseudogap structure in the density of states. On further doping the conductivity evolves to the Drude peak plus weakly frequency dependent tail structure expected for less strongly correlated metals.
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.
Dynamical properties are notoriously difficult to compute in numerical treatments of the Fermi-Hubbard model, especially in two spatial dimensions. However, they are essential in providing us with insight into some of the most important and less well-understood phases of the model, such as the pseudogap and strange metal phases at relatively high temperatures, or unconventional superconductivity at lower temperatures, away from the commensurate filling. Here, we use the numerical linked-cluster expansions to compute spin and charge optical conductivities of the model at different temperatures and strong interaction strengths via the exact real-time-dependent correlation functions of the current operators. We mitigate systematic errors associated with having a limited access to the long-time behavior of the correlators by introducing fits and allowing for non-zero Drude weights when appropriate. We compare our results to available data from optical lattice experiments and find that the Drude contributions can account for the theory-experiment gap in the DC spin conductivity of the model at half filling in the strong-coupling region. Our method helps paint a more complete picture of the conductivity in the two-dimensional Hubbard model and opens the door to studying dynamical properties of quantum lattice models in the thermodynamic limit.
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.