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arXiv:2011.04080 · Physical review. B./Physical review. B

Dynamical vertex approximation for many-electron systems with spontaneously broken SU(2) symmetry

Lorenzo Del Re, A. Toschi

Published Aug 12, 2021• 25 citations
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Abstract

While it is commonly assumed that correlation effects in quantum materials get partly mitigated by the onset of magnetic order, the precise role played by strong correlations in spontaneous symmetry-broken phases remains largely unexplored. Here, the authors' generalization of one of the most used diagrammatic extensions of dynamical mean-field theory to treat magnetic ordered phases provides a powerful tool to unveil the spectroscopic signatures of electronic correlations in strongly correlated quantum magnets, as highlighted by preliminary results for testbed cases.

DOI
10.1103/physrevb.104.085120

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While it is commonly assumed that correlation effects in quantum materials get partly mitigated by the onset of magnetic order, the precise role played by strong correlations in spontaneous symmetry-broken phases remains largely unexplored. Here, the authors' generalization of one of the most used diagrammatic extensions of dynamical mean-field theory to treat magnetic ordered phases provides a powerful tool to unveil the spectroscopic signatures of electronic correlations in strongly correlated quantum magnets, as highlighted by preliminary results for testbed cases.
We give an elementary introduction to a recent diagrammatic extension of dynamical mean field theory (DMFT) coined dynamical vertex approximation (DΓΓΓA). This approach contains the important local correlations of DMFT, giving, among others, rise to quasiparticle renormalizations, Mott-Hubbard transitions and magnetism, but also non-local correlations beyond. The latter are at the very essence of many physical phenomena in strongly correlated elecectron systems. As correlations are treated equally on all length scales, DΓΓΓA allows us to describe physical phenomena such as magnons, quantum criticality, and the interplay between antiferromagnetism and superconductivity. We review results hitherto obtained for the Hubbard model in dimensions d=3, 2, and 1.
We give an elementary introduction to a recent diagrammatic extension of dynamical mean field theory (DMFT) coined dynamical vertex approximation (DΓA). This approach contains the important local correlations of DMFT, giving, among others, rise to quasiparticle renormalizations, Mott-Hubbard transitions and magnetism, but also non-local correlations beyond. The latter are at the very essence of many physical phenomena in strongly correlated elecectron systems. As correlations are treated equally on all length scales, DΓA allows us to describe physical phenomena such as magnons, quantum criticality, and the interplay between antiferromagnetism and superconductivity. We review results hitherto obtained for the Hubbard model in dimensions d = 3, 2, and 1.
Mean field approach, although a generally reliable tool that captures major short-range correlations, often fails in symmetric low dimensional strongly correlated electronic systems like those described by the Hubbard model. In these situations a symmetry is almost broken. The problem is linked to the restoration of the symmetry due to strong fluctuations (both quantum and thermal) on all scales. The restoration of symmetry in statistical models of scalar order parameter fields was treated recently successfully on the Gaussian approximation level by symmetrization of the correlators. Here the idea is extended to fermionic systems in which the order parameter is composite. Furthermore, the precision of the correlators can be improved perturbatively. Such a scheme (based on covariant Gaussian approximation) is demonstrated on the one dimensional (1D) and 2D one band Hubbard models by comparison of the correlator with exact diagonalization and MC simulations, respectively.
In principle, the electronic Coulomb interaction among the correlated orbitals is frequency-dependent. Though it is generally believed that the dynamically screened interaction may play a crucial role in understanding the subtle electronic structures of strongly correlated materials, hitherto we know very little about it. In the Letter, we demonstrate that within the framework of single-site dynamical mean-field theory the local two-particle Green's functions χχχ and vertex functions ΓΓΓ are strongly modified by the dynamically screened interaction. Since both χχχ and ΓΓΓ represent the main ingredients to compute momentum-resolved response functions and to treat non-local spatial correlations by means of diagrammatic extensions of dynamical mean-field theory, it is urgent to reexamine previous results by taking the dynamical screening effect into account. The modifications should be very considerable.
In the last decades, multifaceted manifestations of the breakdown of the self-consistent perturbation theory have been identified for the many-electron problem. Yet, the investigations have been so far mostly limited to paramagnetic states, where symmetry breaking is not allowed. Here, we extend the analysis to the spontaneously symmetry-broken antiferromagnetic (AF) phase of the repulsive Hubbard model. To this aim, we calculated two-particle quantities using dynamical mean-field theory for the AF-ordered Hubbard model and studied the possible occurrence of divergences of the irreducible vertex functions in the charge and spin sectors. Our calculations pinpoint the divergences in the AF phase diagram, showing that while the onset of AF order mitigates the breakdown of the perturbation expansion, it does not fully prevent it. Moreover, we have been able to link the changes in the dynamical structure of the corresponding generalized susceptibilities to the physical crossover from a weak-coupling (Slater) to a strong-coupling (Heisenberg) antiferromagnet, which takes place as the interaction strength is gradually increased. Finally, we discuss possible physical consequences of the irreducible vertex divergences in triggering phase-separation instabilities within the AF phase and elaborate on the implications of our findings for two-dimensional systems, where the onset of a long-range AF order is prevented by the Mermin-Wagner theorem.
The exploration of quantum phases in strongly correlated electron systems represents a frontier in condensed matter physics, offering insights into phenomena such as high-temperature superconductivity, Mott insulation, and quantum spin liquids. Traditional theoretical approaches, relying on perturbative or mean-field approximations, often fall short in capturing the intricate interplay of electron correlations that drive these exotic phases. This paper delves into the critical role of exact and highly accurate diagrammatic expansions as powerful, non-perturbative tools for unraveling the emergence and characterization of quantum phases. We review the theoretical foundations of these methods, including advanced techniques like Dynamical Mean-Field Theory extensions and the Functional Renormalization Group, and discuss their ability to systematically incorporate non-local correlations. By examining their application to canonical models, we illustrate how these expansions provide a robust framework for constructing phase diagrams, predicting novel quantum states, and discerning the mechanisms underlying quantum phase transitions. We highlight the computational advancements, such as diagrammatic Monte Carlo, that enable the practical implementation of these complex theories. Finally, we discuss current challenges and future prospects, emphasizing the potential of exact diagrammatic expansions to deepen our understanding of quantum matter and guide the discovery of new materials with tailored functionalities.