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arXiv:2405.04277 · Physical review. B./Physical review. B

Antiferromagnetic and spin spiral correlations in the doped two-dimensional Hubbard model: Gauge symmetry, Ward identities, and dynamical mean-field theory analysis

I. A. Goremykin, A. A. Katanin

Published Aug 27, 2024• 8 citations
arXivHTMLPDF

Abstract

We reconsider derivation of Ward identities for spin stiffnesses, which determine the nonlinear sigma model of magnetic degrees of freedom of interacting electrons in the presence of antiferromagnetic or incommensurate correlations. We emphasize that in the approaches, which do not break explicitly spin symmetry of the action, the spatial components of gauge kernel, which are used to obtain spin stiffnesses, remain gauge invariant even in case of spontaneous spin symmetry breaking. We derive the corrected Ward identities, which account for this gauge invariance. We find that the frequency dependence of temporal spin stiffnesses is not fixed by the obtained identities, and show that the infinitesimally small external staggered field is crucially important to obtain finite static uniform transverse susceptibility. On the other hand, the spatial spin stiffnesses are determined by the gauge kernel of the Legendre transformed theory, which is in general different from the gauge kernel of the original theory and obtain an explicit expression for spatial spin stiffnesses through susceptibilities and current correlation functions. We verify numerically the obtained results within dynamic mean-field theory, and obtain doping dependencies of the resulting spin stiffnesses for antiferromagnetic and incommensurate phases.

DOI
10.1103/physrevb.110.085153

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We reconsider derivation of Ward identities for spin stiffnesses, which determine the nonlinear sigma model of magnetic degrees of freedom of interacting electrons in the presence of antiferromagnetic or incommensurate correlations. We emphasize that in the approaches, which do not break explicitly spin symmetry of the action, the spatial components of gauge kernel, which are used to obtain spin stiffnesses, remain gauge invariant even in case of spontaneous spin symmetry breaking. We derive the corrected Ward identities, which account for this gauge invariance. We find that the frequency dependence of temporal spin stiffnesses is not fixed by the obtained identities, and show that the infinitesimally small external staggered field is crucially important to obtain finite static uniform transverse susceptibility. On the other hand, the spatial spin stiffnesses are determined by the gauge kernel of the Legendre transformed theory, which is in general different from the gauge kernel of the original theory and obtain an explicit expression for spatial spin stiffnesses through susceptibilities and current correlation functions. We verify numerically the obtained results within dynamic mean-field theory, and obtain doping dependencies of the resulting spin stiffnesses for antiferromagnetic and incommensurate phases.
We compute the electron spin susceptibility in the pseudogap regime of the two-dimensional Hubbard model in the framework of a SU(2) gauge theory of fluctuating magnetic order. The electrons are fractionalized in fermionic chargons with a pseudospin degree of freedom and bosonic spinons. The chargons are treated in a renormalized mean-field theory and order in a Néel or spiral magnetic state in a broad range around half filling below a transition temperature T * . Fluctuations of the spin orientation are captured by the spinons. Their dynamics is governed by a nonlinear sigma model, with spin stiffnesses computed microscopically from the pseudospin susceptibility of the chargons. The SU(2) gauge group is higgsed in the chargon sector, and the spinon fluctuations prevent breaking of the physical spin symmetry at any finite temperature. The electron spin susceptibility obtained from the gauge theory shares many features with experimental observations in the pseudogap regime of cuprate superconductors: the dynamical spin susceptibility S ( q , ω ) has a spin gap, the static uniform spin susceptibility κ s decreases strongly with temperature below T * , and the NMR relaxation rate T 1 − 1 vanishes exponentially in the low temperature limit if the ground state is quantum disordered. At low hole doping, S ( q , ω ) exhibits nematicity below a transition temperature T nem < T * , and at larger hole doping in the entire pseudogap regime below T * .
We analyze the density dependence of the spin stiffnesses and the stability of magnetic order with respect to quantum fluctuations in the two-dimensional Hubbard model close to half-filling. The stiffnesses are computed from the spin susceptibility obtained from a random-phase approximation in a magnetically ordered state. For a sizable next-to-nearest-neighbor hopping amplitude and a moderate Hubbard interaction, the mean-field ground state is a Néel antiferromagnet in the electron-doped regime at and above half-filling and a planar circular spiral state in the hole-doped regime below half-filling. Upon electron doping, the Néel stiffness decreases smoothly and not very steeply. By contrast, the in-plane and out-of-plane stiffnesses in the spiral state drop abruptly at half-filling. The out-of-plane stiffness even drops to zero and then increases again very slowly upon increasing hole doping. At finite temperatures, the Néel-to-spiral transition is shifted into the hole-doped regime, the stiffnesses are continuous functions of the density, and they vanish at the transition. For small hole doping, the spin stiffnesses describe the quantum fluctuations only in a small momentum range, which shrinks to zero upon approaching half-filling. Using the above results, we show that the quantum ground state of the lightly electron-doped Hubbard model remains Néel ordered, while quantum fluctuations probably destroy the spiral long-range order in the hole-doped regime, giving rise to a quantum disordered state with a spin gap.
Using a path-integral formalism and decomposing the Hubbard interaction into charge and spin order parameters, we develop a 1/S loop expansion of the two-dimensional Hubbard model. At the saddle-point level, we present a detailed study of the energetics of twisted antiferromagnetic order. Doping the antiferromagnetic state leads to a rich mean-field phase diagram at zero temperature, which includes spiral phases, a column phase, and ferromagnetism. The on-site magnetization, the density of states, the plasma frequency, and the quasiparticle weights are evaluated for the twisted spin-density-wave (SDW) states as a function of doping and U/t. Doping-induced frustration remarkably leads to a closure of the Mott-Hubbard band gap for any U/t. At one-loop order, we delineate the collective spin and charge fluctuations of the mean-field SDW state. The action for the two transverse spin modes at half-filling maps to a nonlinear \ensuremath{\sigma} model, which tends to disorder upon doping. Twisted magnetic ground states exhibit a third Goldstone mode due to the complete breaking of rotational invariance. For the commensurate SDW, the charge fluctuations couple only to longitudinal spin fluctuations, whereas, for the incommensurate metallic SDW states, the charge modes are coupled nontrivially to the massless spin waves. This suggests a metallic state quite unlike traditional Fermi liquids.
We compute the spin susceptibility of the two-dimensional Hubbard model away from half-filling, and analyze the impact of frequency-dependent vertex corrections as obtained from the dynamical mean field theory (DMFT). We find that the local dynamics captured by the DMFT vertex strongly affects nonlocal spin correlations, and thus the momentum dependence of the spin susceptibility. While the widely used random-phase approximation yields commensurate N\'eel-type antiferromagnetism as the dominant instability over a wide doping range, the vertex corrections favor incommensurate ordering wave vectors away from $(\ensuremath{\pi},\ensuremath{\pi})$. Our results indicate that the connection between the magnetic ordering wave vector and the Fermi surface geometry, familiar for weakly interacting systems, can hold in a strongly correlated metal, too.
We consider the collective, long-wavelength charge excitations in correlated media in presence of short- and long-range forces. As an example for the case of a short-range interaction, we examine the two-dimensional Hubbard model within dynamical mean-field theory (DMFT). It is shown explicitly that the DMFT susceptibility including vertex corrections respects the Ward identity and yields a manifestly gauge-invariant response in finite dimensions. For computing the susceptibility, we use a different expression and establish its formal equivalence to the standard DMFT formula. It allows for a more stable analytical continuation. We find a zero-sound mode expected for short-range forces. The relation between the vertex corrections, gauge invariance, and the appearance of the collective modes is discussed. Long-range forces are treated within extended dynamical mean-field theory. In order to obtain a gauge-invariant response, it is necessary to additionally incorporate some nonlocal vertex corrections into the polarization. In doing so, we obtain plasmons in the three-dimensional Hubbard model. The plasma frequency is determined by the (single-particle) density distribution as a consequence of gauge invariance. We compare this result with the plasma frequency extracted from the analytical continuation of the susceptibility. It is in good agreement with the prediction from the gauge-invariance condition.
The application of functional integral methods and the Hubbard--Stratonovich transformation to the Hubbard model is discussed. For the attractive case, using a simple gauge transformation of the superconducting order parameter field, the effective action for the low-energy phase excitations is derived. Inclusion of the electromagnetic field is straightforward. For the repulsive case at half--filling use of a fluctuating spin reference frame allows a derivation of the effective nonlinear sigma model for arbitrary coupling strength U. Results for the spin-wave velocity and the spin stiffness are obtained for arbitrary U. Away from half--filling, at large U an effective action for doped fermions and the spins is found which is related to the slave fermion formulation of the correlated fermion problem. The formalism is generalized to include the full SU(2)xSU(2) symmetry of the Hubbard model. This allows the derivation of a Ginzburg-Landau like theory that includes both particle-hole and particle-particle excitations. (paper at the NATO workshop on the Hubbard model, San Sebastian, Spain, oct. 1993)