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arXiv:1610.03720 · Physical review. B./Physical review. B

Quantum critical point revisited by dynamical mean-field theory

Wenhu Xu, Gabriel Kotliar, Alexei M. Tsvelik

Published Mar 31, 2017• 9 citations
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Abstract

Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. We use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. By comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.

DOI
10.1103/physrevb.95.121113

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Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. We use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. By comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.
We have generalized the dynamical mean-field theory to study the doping dependence of the crossover from antiferromagnetic to short-range order modeled by an incommensurate spin density wave in the Hubbard model. The local self-energy which includes spin fluctuations gives quasiparticle weights and spectral properties in good agreement with quantum Monte Carlo and exact diagonalization data in two dimensions. The spectra at finite doping are characterized by a Mott-Hubbard ``gap'' accompanied by a pseudogap induced by the local spin order.
We complement previous functional renormalization group (fRG) studies of the two-dimensional Hubbard model by mean-field calculations. The focus falls on Van Hove filling and the hopping amplitude ${t}^{\ensuremath{'}}/t=0.341$. The fRG data suggest a quantum critical point (QCP) in this region and in its vicinity a singular fermionic self-energy $\mathrm{Im}\phantom{\rule{0.16em}{0ex}}\mathrm{\ensuremath{\Sigma}}(\ensuremath{\omega})/\ensuremath{\omega}\ensuremath{\sim}\ensuremath{-}{\left|\ensuremath{\omega}\right|}^{\ensuremath{-}\ensuremath{\gamma}}$ with $\ensuremath{\gamma}\ensuremath{\approx}0.26$ [K-U. Giering and M. Salmhofer, Self-energy flows in the two-dimensional repulsive Hubbard model, Phys. Rev. B 86, 245122 (2012)]. Here we start a more detailed investigation of this QCP using a bosonic formulation for the effective action, where the bosons couple to the order parameter fields. To this end, we use the channel decomposition of the fermionic effective action developed in C. Husemann and M. Salmhofer, Efficient Parametrization of the Vertex Function, Omega-Scheme, and the (t, t')-Hubbard Model at Van Hove Filling, Phys. Rev. B 79, 195125 (2009), which allows us to perform Hubbard-Stratonovich transformations for all relevant order parameter fields at any given energy scale $\mathrm{\ensuremath{\Omega}}$. We stop the flow at a scale $\mathrm{\ensuremath{\Omega}}$ where the correlations of the order parameter field are already pronounced, but the flow is still regular, and derive the effective boson theory. It contains ddd-wave superconducting, magnetic, and density-density interactions. We analyze the resulting phase diagram in the mean-field approximation. We show that the singular fermionic self-energy suppresses gap formation both in the superconducting and magnetic channel already at the mean-field level, thus rounding a first-order transition (without self-energy) to a quantum phase transition (with self-energy). We give a simple effective model that shows the generality of this effect. In the two-dimensional Hubbard model, the effective density-density interaction is peaked at a nonzero frequency, so that solving the mean-field equations already involves a functional equation instead of simply a matrix equation (on a technical level, similar to incommensurate phases). Within a certain approximation, we show that such an interaction leads to a short quasiparticle lifetime.
A new approach is proposed which encompasses the dynamical mean field theory (DMFT) for strongly correlated electron systems and the self-consistent renormalization (SCR) theory of spin fluctuations. The latter is incorporated into DMFT as a O(1/d)O(1/d)O(1/d) correction, where ddd is the spatial dimensionality, but in a phenomenological way. The DMFT is completely recovered when the effect of spin fluctuation is omitted, whereas the properties at the quantum critical point (QCP) is the same as the SCR theory. An example of calculation is presented for the single band Hubbard model and the non-Fermi liquid behavior is demonstrated at QCP.
We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale $\ensuremath{\xi}$ via a momentum dependent external self-energy ${\ensuremath{\Sigma}}_{\mathbf{k}}$. This external self-energy describes nonlocal dynamical correlations induced by the short-ranged collective spin density wave--like antiferromagnetic spin (or the charge density wave--like charge) fluctuations. At high enough temperatures these fluctuations can be viewed as a quenched Gaussian random field with a finite correlation length. This generalized $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ approach is used for the numerical solution of the weakly doped one-band Hubbard model with repulsive Coulomb interaction on a square lattice with the nearest and the next nearest neighbor hopping. The effective single impurity problem in this generalized $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ is solved by the numerical renormalization group. Both types of the strongly correlated metals, namely: (i) The doped Mott insulator and (ii) the case of the bandwidth $W\ensuremath{\lesssim}U$ (UUU---value of the local Coulomb interaction) are considered. The densities of states, the spectral functions, and the angle resolved photoemission spectra calculated within the $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ show a pseudogap formation near the Fermi level of the quasiparticle band.
Magnetic correlations of doped Mott insulators hold the key to the unusual characteristics of many quantum materials. Recent experiments with ultracold atoms in optical lattices have provided new information about the magnetic properties of the Fermi-Hubbard model on a square lattice. We demonstrate that recent measurements indicate that a single doping-dependent energy scale determines both static correlations and dynamical response of these systems. To understand these experimental findings, we employ a self-consistent formalism to describe the coupling between antiferromagnetic magnons and doped holes, and we uncover the emergence of a universal magnetic energy scale at finite doping, which we denote by J∗J^*J∗. We present the single- and two-magnon spectral properties at finite doping and discuss the appearance of a bimagnon peak in lattice-modulation spectroscopy, at frequencies set by J∗J^*J∗. Furthermore, we argue that this same energy scale sets the onset of pseudogap phenomena, leading to the hypothesis kBT∗=cJ∗k_BT^* = c J^*kB​T∗=cJ∗, with ccc an order one number. We identify another low-energy scale emerging from our analysis of magnetic excitations, and argue that it controls the stability of Néel order at the lowest temperatures, ultimately driving a transition to an incommensurate spin-density-wave at finite doping. We discuss the relation between this low-energy scale and the nature of fermionic quasiparticles. Our analysis suggests that stability of the commensurate antiferromagentic phase at finite doping can be controlled experimentally by introducing additional quasiparticle broadening via disorder or low-frequency noise.
Away from half filling and above its Neel temperature, the three-dimensional Hubbard model is a paramagnetic metal with antiferromagnetic spin fluctuations, where controlled momentum-resolved results have been lacking. Using connected-determinant diagrammatic Monte Carlo, we compute the momentum-resolved self-energy for n = 0.4-0.95, T/t = 0.05-0.33 and U/t = 4-8, and the full-zone spin susceptibility at twelve of these points, focusing on U/t = 4. At U/t = 4 and toward half filling the spin fluctuations become strong: for n = 0.7-0.9 at T/t = 0.14 they enhance the susceptibility peak up to sevenfold and raise the momentum-dependent part of the scattering rate to four to five times its second-order value. They are driven by an effective spin interaction screened to about 2U/3 and nearly uniform over the zone. Yet the peak height is set by the slightly smaller value of this interaction at the peak wave vector, and near magnetic order this small difference changes the height by a large factor. Two-particle self-consistent theory reproduces the peak because its sum rule fixes its single constant interaction near this value, but for n = 0.7-0.9 at T/t = 0.14 its self-energy overestimates the local scattering rate and underestimates the momentum-dependent part. Though strong, the fluctuations are short ranged, with a correlation length of at most about two lattice spacings, and for n = 0.7-0.9 and T/t >= 0.14 the scattering rate near the Fermi surface varies by at most about 1% at fixed band energy, without hot spots. At U/t = 4 dynamical mean-field theory (DMFT) reproduces the local scattering rate and quasiparticle weight within a few percent, and the nonlocal part it misses is approximately a function of the band energy. Strong spin fluctuations thus coexist with nearly isotropic quasiparticles, and the results provide a benchmark for extensions of DMFT and for spin-fluctuation theories.