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arXiv:1609.08620 · Physical review. B./Physical review. B

Quantum critical properties of a metallic spin-density-wave transition

Max H. Gerlach, Yoni Schattner, Erez Berg, Simon Trebst

Published Jan 17, 2017• 64 citations
arXivHTMLPDF

Abstract

We report on numerically exact determinantal quantum Monte Carlo simulations of the onset of spin-density-wave (SDW) order in itinerant electron systems captured by a sign-problem-free two-dimensional lattice model. Extensive measurements of the SDW correlations in the vicinity of the phase transition reveal that the critical dynamics of the bosonic order parameter are well described by a dynamical critical exponent $z=2$, consistent with Hertz-Millis theory, but are found to follow a finite-temperature dependence that does not fit the predicted behavior of the same theory. The presence of critical SDW fluctuations is found to have a strong impact on the fermionic quasiparticles, giving rise to a dome-shaped superconducting phase near the quantum critical point. In the superconducting state we find a gap function that has an opposite sign between the two bands of the model and is nearly constant along the Fermi surface of each band. Above the superconducting ${T}_{c}$, our numerical simulations reveal a nearly temperature and frequency independent self-energy causing a strong suppression of the low-energy quasiparticle weight in the vicinity of the hot spots on the Fermi surface. This indicates a clear breakdown of Fermi liquid theory around these points.

DOI
10.1103/physrevb.95.035124

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We report on numerically exact determinantal quantum Monte Carlo simulations of the onset of spin-density-wave (SDW) order in itinerant electron systems captured by a sign-problem-free two-dimensional lattice model. Extensive measurements of the SDW correlations in the vicinity of the phase transition reveal that the critical dynamics of the bosonic order parameter are well described by a dynamical critical exponent z=2z=2z=2, consistent with Hertz-Millis theory, but are found to follow a finite-temperature dependence that does not fit the predicted behavior of the same theory. The presence of critical SDW fluctuations is found to have a strong impact on the fermionic quasiparticles, giving rise to a dome-shaped superconducting phase near the quantum critical point. In the superconducting state we find a gap function that has an opposite sign between the two bands of the model and is nearly constant along the Fermi surface of each band. Above the superconducting Tc{T}_{c}Tc​, our numerical simulations reveal a nearly temperature and frequency independent self-energy causing a strong suppression of the low-energy quasiparticle weight in the vicinity of the hot spots on the Fermi surface. This indicates a clear breakdown of Fermi liquid theory around these points.
Plenty experimental evidence indicates that quantum critical phenomena give rise to much of the rich physics observed in strongly correlated itinerant electron systems such as the high temperature superconductors. A quantum critical point of particular interest is found at the zero-temperature onset of spin-density wave order in two- dimensional metals. The appropriate low-energy theory poses an exceptionally hard problem to analytic theory, therefore the unbiased and controlled numerical approach pursued in this thesis provides important contributions on the road to comprehensive understanding. After discussing the phenomenology of quantum criticality, a sign- problem-free determinantal quantum Monte Carlo approach is introduced and an extensive toolbox of numerical methods is described in a self-contained way. By the means of large-scale computer simulations we have solved a lattice realization of the universal effective theory of interest. The finite-temperature phase diagram, showing both a quasi-long-range spin-density wave ordered phase and a d-wave superconducting dome, is discussed in its entirety. Close to the quantum phase transition we find evidence for unusual scaling of the order parameter correlations and for non-Fermi liquid behavior at isolated hot spots on the Fermi surface.
We study the onset of spin-density wave order in itinerant electron systems via a two-dimensional lattice model amenable to numerically exact, sign-problem-free determinantal quantum Monte Carlo simulations. The finite-temperature phase diagram of the model reveals a dome-shaped d-wave superconducting phase near the magnetic quantum phase transition. Above the critical superconducting temperature, an extended fluctuation regime manifests itself in the opening of a gap in the electronic density of states and an enhanced diamagnetic response. While charge density wave fluctuations are moderately enhanced in the proximity of the magnetic quantum phase transition, they remain short ranged. The striking similarity of our results to the phenomenology of many unconventional superconductors points a way to a microscopic understanding of such strongly coupled systems in a controlled manner.
One of the most challenging problems in computational condensed matter physics is the simulation of many-electron systems by unbiased numerical techniques. Quantum Monte Carlo approaches – typically the method of choice for quantum many-body systems with bosonic or spin degrees of freedom – are oftentimes limited to handle many-electron systems due to the infamous fermion-sign problem that severely limits the computational efficiency of this otherwise very potent class of algorithms. Here we report on an elegant approach to overcome the fermion-sign problem in the study of competing quantum magnetism and superconductivity in metals. This approach allows us to study the onset of spin-density wave order in such itinerant electron systems via two-dimensional lattice models amenable to numerically exact, sign-problem-free determinantal quantum Monte Carlo simulations. The finite-temperature phase diagram of these models reveal a dome-shaped d-wave superconducting phase near the magnetic quantum phase transition. The striking similarity of these numerical results to the experimentally observed phenomenology of many unconventional superconductors points a way to a microscopic understanding of such strongly coupled systems in a controlled manner.
We present a functional renormalization group analysis of a quantum critical point in two-dimensional metals involving Fermi surface reconstruction due to the onset of spin-density wave order. Its critical theory is controlled by a fixed point in which the order parameter and fermionic quasiparticles are strongly coupled and acquire spectral functions with a common dynamic critical exponent. We obtain results for critical exponents and for the variation in the quasiparticle spectral weight around the Fermi surface. Our analysis is implemented on a two-band variant of the spin-fermion model which will allow comparison with sign-problem-free quantum Monte Carlo simulations.
Many correlated materials display a quantum-critical point between a paramagnetic and a spin-density wave (SDW) state. The SDW wave vector connects points, so-called hot spots, on opposite sides of the Fermi surface. The Fermi velocities at these pairs of points are in general not parallel. Here, we consider the case where pairs of hot spots coalesce, and the wave vector $(\ensuremath{\pi},\ensuremath{\pi})$ of the SDW connects hot spots with parallel Fermi velocities. Using the specific example of electron-doped cuprates, we first show that Kanamori screening and generic features of the Lindhard function make this case experimentally relevant. The temperature dependence of the correlation length, the spin susceptibility, and the self-energy at the hot spots are found using the two-particle self-consistent theory and specific numerical examples worked out for band and interaction parameters characteristic of the electron-doped cuprates. While the curvature of the Fermi surface at the hot spots leads to deviations from perfect nesting, the pseudonesting conditions lead to drastic modifications of the temperature dependence of these physical observables: Neglecting logarithmic corrections, the correlation length $\ensuremath{\xi}$ scales like 1/T1/T1/T, namely, z=1z=1z=1 instead of the naive z=2z=2z=2, the $(\ensuremath{\pi},\ensuremath{\pi})$ static spin susceptibility $\ensuremath{\chi}$ like 1/T1/\sqrt{T}1/T​, and the imaginary part of the self-energy at the hot spots like T3/2{T}^{3/2}T3/2. The correction ${T}_{1}^{\ensuremath{-}1}\ensuremath{\sim}{T}^{3/2}$ to the Korringa NMR relaxation rate is subdominant. We also consider this problem at zero temperature, or for frequencies larger than temperature, using a field-theoretical model of gapless collective bosonic modes (SDW fluctuations) interacting with fermions. The imaginary part of the retarded fermionic self-energy close to the hot spots scales as $\ensuremath{-}{\ensuremath{\omega}}^{3/2}\mathrm{ln}\ensuremath{\omega}$. This is less singular than earlier predictions of the form $\ensuremath{-}\ensuremath{\omega}\mathrm{ln}\ensuremath{\omega}$. The difference arises from the effects of umklapp terms that were not included in previous studies.
In the last few decades, quantum criticality in itinerant electron systems has become a central focus of condensed matter physics. On the one hand, it represents a candidate mechanism for high-temperature superconductivity. On the other hand, it can lead to a breakdown of Fermi liquid theory. The formation of a comprehensive understanding of metallic quantum criticality has, however, been significantly hampered by the fact that in many-fermion systems, fluctuations of a critical order parameter can couple to extensive gapless modes on a finite Fermi surface. This interplay, while giving rise to intriguing physical phenomena, leads to strong electronic correlations, which are notoriously difficult to handle by analytic methods. In this thesis, we investigate metallic quantum criticality by means of large-scale quantum Monte Carlo simulations and contribute unbiased, rigorous results to the discussion. Focusing on antiferromagnetic spin-density wave ordering, we present the numerically exact phase diagram of a spin-fermion model whose solution has so far been out of reach. In particular, we highlight the emergence of high-temperature d-wave superconductivity and rigorously establish the quantum critical properties of the antiferromagnetic quantum critical point. Combining the Monte Carlo method with a quantum loop topography approach, we demonstrate that important features of quantum critical metals can be autonomously identified by machine learning of current-current correlations. This allows us to analyze the electronic transport characteristics of two quantum critical metals, including the spin-fermion model, over a large parameter range and leads to the identification of extended non-Fermi liquid regimes in their respective phase diagrams.