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arXiv:2003.07829 · Physical Review Letters

Fingerprints of the Local Moment Formation and its Kondo Screening in the Generalized Susceptibilities of Many-Electron Problems

Patrick Chalupa-Gantner, Thomas Schäfer, M. Reitner, Daniel Springer, Sabine Andergassen, A. Toschi

Published Feb 4, 2021• 65 citations
arXivHTMLPDF

Abstract

We identify the precise hallmarks of the local magnetic moment formation and its Kondo screening in the frequency structure of the generalized charge susceptibility. The sharpness of our identification even pinpoints an alternative criterion to determine the Kondo temperature of strongly correlated systems on the two-particle level, which only requires calculations at the lowest Matsubara frequency. We showcase its strength by applying it to the single impurity and the periodic Anderson model as well as to the Hubbard model. Our results represent a significant progress for the general understanding of quantum field theory at the two-particle level and allow for tracing the limits of the physics captured by perturbative approaches for correlated systems.

DOI
10.1103/physrevlett.126.056403

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We identify the precise hallmarks of the local magnetic moment formation and its Kondo screening in the frequency structure of the generalized charge susceptibility. The sharpness of our identification even pinpoints an alternative criterion to determine the Kondo temperature of strongly correlated systems on the two-particle level, which only requires calculations at the lowest Matsubara frequency. We showcase its strength by applying it to the single impurity and the periodic Anderson model as well as to the Hubbard model. Our results represent a significant progress for the general understanding of quantum field theory at the two-particle level and allow for tracing the limits of the physics captured by perturbative approaches for correlated systems.
We study the formation of local magnetic moments in the strongly correlated Hubbard model within dynamical mean-field theory and associate peculiarities of the temperature dependence of local charge ${\ensuremath{\chi}}_{c}$ and spin ${\ensuremath{\chi}}_{s}$ susceptibilities with different stages of local moment formation. The local maximum of the temperature dependence of the charge susceptibility ${\ensuremath{\chi}}_{c}$ is associated with the beginning of local magnetic moment formation, while the minimum of the susceptibility ${\ensuremath{\chi}}_{c}$ and double occupation, as well as the low-temperature boundary of the plateau of the effective local magnetic moment ${\ensuremath{\mu}}_{\mathrm{eff}}^{2}=T{\ensuremath{\chi}}_{s}$ temperature dependence are connected with the full formation of local moments. We also obtain the interaction dependence of the Kondo temperature TK{T}_{K}TK​, which is compared to the fingerprint criterion of Chalupa et al. [Phys. Rev. Lett. 126, 056403 (2021)]. Near the Mott transition the two criteria coincide, while further away from the Mott transition the fingerprint criterion somewhat overestimates the Kondo temperature. The relation of the observed features to the behavior of eigenvectors/eigenvalues of fermionic frequency-resolved charge susceptibility and divergences of irreducible vertices is discussed.
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We study the microscopic mechanism controlling the interplay between local charge and local spin fluctuations in correlated electron systems via a thorough investigation of the generalized on-site charge susceptibility of several fundamental many-electron models, such as the Hubbard atom, the Anderson impurity model, and the Hubbard model. By decomposing the numerically determined generalized susceptibility in terms of physically transparent single-boson exchange processes, we unveil the microscopic mechanisms responsible for the breakdown of the self-consistent many-electron perturbation expansion. In particular, we unambiguously identify the origin of the significant suppression of its diagonal entries in (Matsubara) frequency space and the slight increase of the off-diagonal ones which cause the breakdown. The suppression effect on the diagonal elements originates directly from the electronic scattering on local magnetic moments, reflecting their increasingly longer lifetime as well as their enhanced effective coupling with the electrons. Instead, the slight and diffuse enhancement of the off-diagonal terms can be mostly ascribed to multiboson scattering processes. The strong intertwining between spin and charge sectors is partly weakened at the Kondo temperature due to a progressive reduction of the effective spin-fermion coupling of local magnetic fluctuations in the low frequency regime. Our analysis, thus, clarifies the precise mechanism through which the physical information is transferred between different scattering channels of interacting electron problems and highlights the pivotal role played by such an intertwining in the physics of correlated electrons beyond the perturbative regime.
Strongly correlated electron systems show a rich variety of astonishing physical phenomena. However, the strong interactions make the theoretical description of these systems a highly non-trivial task. Even the simplest models cannot be solved exactly, and one has to reside to approximative solutions, which often cover only certain aspects of the physics contained in these models. In recent years progress has been made in the theoretical description of correlated lattice systems through the mapping of lattice models onto effective impurity models. The most prominent example is the mapping of the Hubbard model onto an effective single impurity Anderson model (SIAM). Within this description both models feature the prominent Kondo effect, which leads to the emergence of low energy quasiparticles. The occurrence of such excitations is a result of the dynamical screening of local magnetic moments and the corresponding formation of a low temperature Fermi liquid phase. On the other hand these theories usually fail in the description of non Fermi liquid behavior, which is for example observed in the normal state of high temperature superconductors and some Heavy-Fermion systems. Strong nonlocal fluctuations drive the dynamics of these systems. In the theoretical treatment, due to the mapping of the lattice problem to an effective single impurity problem, these fluctuations are not adequately described.\\\\ In this thesis a new self-consistent approach for the inclusion of spatial correlations is presented for the Hubbard model. In contrast to existing quantum cluster theories in this field, the approach allows for the simultaneous description of short and long range pair correlations. Due to the intimate connection of this new lattice theory with the two impurity Anderson model (TIAM) a thorough numerical investigation of the TIAM is undertaken in this thesis. The competition of the Kondo effect with the RKKY interactions is studied in great detail. Furthermore two new solvers for the TIAM are introduced, which extend existing non crossing approximations for the SIAM.
We introduce a minimal effective framework designed to address the anomalous low-temperature thermodynamics observed in strongly disordered interacting systems near a metal-insulator transition, such as doped semiconductors. Our approach examines how a strongly inhomogeneous electronic bath quenches dilute pairs of local magnetic moments. By solving the resulting two-impurity Kondo-Heisenberg problem within a large-N\mathcal{N}N variational framework, we capture the competition between Kondo screening and random-singlet formation. Both mechanisms give rise to singular thermodynamic responses, producing a magnetic susceptibility of the form χ(T)∼T−αχ(T)\sim T^{-α}χ(T)∼T−α, where the exponent ααα evolves smoothly with model parameters and saturates in the metallic regime, consistent with experimental observations. Our results establish a unified framework that connects random-singlet physics and disorder-induced Kondo screening in strongly disordered correlated materials.
The Kondo effect is a hallmark of strongly-correlated systems, where an impurity's local degrees of freedom are screened by conduction electrons, forming a many-body singlet. With increasing degrees of freedom in the impurity, theoretical studies face significant challenges in accurately identifying and characterizing the underlying mechanisms that screen the impurity. In this work, we introduce a straightforward yet powerful methodology for identifying the formation of Kondo singlets and their screening mechanisms, by utilizing the numerical renormalization group (NRG) combined with the matrix product states (MPS) technique. We demonstrate the effectiveness of our method on the single and two-level Anderson impurity models (AIM). Furthermore, we discuss potential generalizations of the method to multichannel and multiorbital Kondo impurities. Harnessing advanced tensor network techniques, our approach extends to complex impurity systems, offering a robust and versatile framework for studying Kondo physics.