arXiv subjects

Georg Rohringer

Publications and source records attributed to Georg Rohringer.

11 recordsLinked to original sources

arXiv2025

Magnetic instabilities in three- and higher-dimensional Hubbard models with different lattice geometries: Impact of nonlocal spatial correlations

We analyze the impact of the lattice geometry on the thermodynamic transition to magnetically ordered phases in strongly interacting electron systems for various Bravais lattices in three, four and five dimensions, including both local and nonlocal correlation effects. In a first step we use the dynamical mean-field theory (DMFT), which takes into account purely local correlations, to calculate the magnetic susceptibilities of the Hubbard model on three- (3d-sc), four- (4d-sc), and five-dimensional (5d-sc) simple cubic/hypercubic, as well as on three-dimensional body- (bcc) and face-centered (fcc) cubic lattices, and determine the transition temperature to the corresponding magnetically ordered state. In a second step, we exploit the dynamical vertex approximation (D$\Gamma$A), a diagrammatic extension of DMFT, to include the effect of nonlocal correlations which are particularly important in the vicinity of the corresponding phase transition. For the bipartite 3d-sc, 4d-sc, 5d-sc and bcc lattices nonlocal fluctuations lead to a substantial reduction of the DMFT transition temperature consistent to the overall tendency of mean-field approaches to overestimate the stability of ordered phases. As expected, the magnitude of the difference between the DMFT, being exact in the limit of large connectivity/dimensions, and D$\Gamma$A transition temperatures decreases with increasing coordination number. On a more practical perspective, these results also provide a reasonable guidance to evaluate the expected overestimation of the DMFT ordering temperature for different material geometries. For the fcc lattice, on the other hand, the ordered phase observed in DMFT vanishes completely within D$\Gamma$A which is consistent with the existence of strong geometric frustration in this lattice.

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arXiv2025

Suppression of the charge fluctuations by nonlocal correlations close to the Mott transition

In this paper, we investigate the impact of nonlocal correlations on charge fluctuations in the two-dimensional single-band Hubbard model close to the Mott metal-to-insulator transition, employing the ladder dynamical vertex approximation. At half filling and for interaction strengths and temperatures where the system is in the Mott insulating phase, charge fluctuations are strongly suppressed. Under these conditions, dynamical mean-field theory (DMFT) calculations predict a strong enhancement of the charge susceptibility at small (electron or hole) doping. However, these DMFT results include only the effects of purely local correlations despite the importance of nonlocal correlations in two-dimensional systems. We have, hence, carried out ladder dynamical vertex approximation (lD$\Gamma$A) simulations which allow for the inclusion of such nonlocal correlation effects while retaining the local ones of DMFT. Our lD$\Gamma$A numerical data show that close to half filling the large uniform charge susceptibility of DMFT is strongly suppressed by nonlocal fluctuations but gradually increases with (electron) doping. At a certain doping value, charge fluctuations eventually become larger in lD$\Gamma$A with respect to DMFT, indicating that the absence of nonlocal correlations underestimates the mobility of the charge carriers in this parameter regime. This metallization effect is also reflected in an enhancement of the lD$\Gamma$A kinetic and potential energies and a corresponding reduction of the (absolute value of the) lD$\Gamma$A Matsubara self-energy with respect to DMFT.

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arXiv2024

Orbital Magnetic Field Driven Metal-Insulator Transition in Strongly Correlated Electron Systems

We study the effects of an orbital magnetic field on the Mott metal-insulator transition in the Hubbard-Hofstadter model. We demonstrate that sufficiently large magnetic fields induce a Mott insulator-to-metal phase transition supporting our claim with dynamical mean field theory (DMFT) numerical results. For both competing phases (metal and insulator) we observe a magnetic-fieldinduced metallization reflected in an enhancement of kinetic and potential energy. The kinetic energy of the Mott insulator increases due to the Aharonov-Bohm effect experienced by electrons virtually tunneling around an elementary plaquette which is, however, suppressed by strong correlations. The kinetic energy of the metallic phase, on the other hand, is more strongly affected by the magnetic field through a field-driven redistribution of spectral weight due to the formation of magnetic minibands. This leads to an increase of the kinetic energy which tends to stabilize the metallic state. Our theoretical results might be relevant for recent experimental studies on magnetic field driven insulator-to-metal transitions in strongly correlated materials such as VO2, $\lambda$-type organic conductors and moir\'e multilayers.

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arXiv2024

Mean Field Decoupling of Single Impurity Anderson Model through Auxiliary Majorana Fermions

We present a method to study the time evolution of the single impurity Anderson model which exploits a mean field decoupling of the interacting impurity and the non-interacting bath (in form of a chain). This is achieved by the introduction of a pair of auxiliary Majorana fermions between the impurity and the chain. After decoupling, we obtain a self-consistent set of equations for the impurity and chain. First, we study the behavior of the system in equilibrium at zero temperature. We obtain a phase transition as a function of the interaction at the impurity and the coupling between the impurity and the chain between the Kondo regime, where the mean field parameters are zero and, hence, we have a well-defined spin at the impurity, to a phase where mean field parameters acquire finite values leading to a screening of the impurity spin by conduction bath electrons. In the latter case, we observe charge and spin fluctuations at the impurity site. Starting from this equilibrium ground state at zero temperature we quench in the interaction strength at the impurity and/or the hybridization strength between the impurity and the chain and study the time evolution of the system. We find that for quenches to weak to intermediate coupling the system converges to the equilibrium state defined by the final set of parameters after the quench. We analyze the oscillation frequency and as well as the thermalization rate during this quench. A quench to a strong interaction value results in persistent oscillations and a trapping of the system in a non-thermal state. We speculate that these two regimes of different long-time behavior are separated by a dynamical phase transition.

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arXiv2022

Consistency of potential energy in the dynamical vertex approximation

In the last decades, dynamical mean-field theory (DMFT) and its diagrammatic extensions have been successfully applied to describe local and nonlocal correlation effects in correlated electron systems. Unfortunately, except for the exact solution, it is impossible to fulfill both the Pauli principle and conservation laws at the same time. Consequently, fundamental observables such as the kinetic and potential energies are ambiguously defined. In this work, we propose an approach to overcome the ambiguity in the calculation of the potential energy within the ladder dynamical vertex approximation (D$Γ$A) by introducing an effective mass renormalization parameter in both the charge and the spin susceptibility of the system. We then apply our method to the half-filled single-band Hubbard model on a three-dimensional bipartite cubic lattice. We find that: (i) at weak-to-intermediate coupling, a reasonable modification of the transition temperature $\TN$ to the antiferromagnetically ordered state with respect to previous ladder D$Γ$A calculations without charge renormalization. This is in good agreement with dual fermion and Monte Carlo results; (ii) the renormalization of charge fluctuations in our new approach leads to a unique value for the potential energy which is substantially lower than corresponding ones from DMFT and non-self-consistent ladder D$Γ$A; and (iii) the hierarchy of the kinetic energies between the DMFT and the ladder D$Γ$A in the weak coupling regime is restored by the consideration of charge renormalization.

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arXiv2021

Fluctuations analysis of the spin susceptibility: Néel ordering revisited in dynamical mean field theory

In this paper, we revisit the antiferromagnetic (AF) phase diagram of the single-band three-dimensional half-filled Hubbard model on a simple cubic lattice studied within the dynamical mean field theory (DMFT). Although this problem has been investigated extensively in the literature, a comprehensive understanding of the impact of the different one- and, in particular, two-particle local correlation functions of DMFT on the AF transition temperature is still missing. We have, hence, performed a fluctuation analysis of $T_N$ with respect to different local bosonic fluctuations (charge, spin, particle-particle) contained in the two-particle vertex of DMFT. Our results indicate that, beyond weak coupling, the screening of the DMFT vertex by local fluctuations leads to an enhancement of $T_N$ with respect to a random phase approximation (RPA) like calculation where this vertex is replaced by the bare interaction. The overall suppression of $T_N$ in DMFT with respect to RPA is then solely due to the incoherence introduced by the DMFT self-energy in the one-particle Green's functions. This illustrates the Janus-faced role of the local moment formation in the DMFT solution of the Hubbard model, which leads to completely opposite effects in the one- and two-particle correlation functions.

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arXiv2020

Fluctuation diagnostic of the nodal/antinodal dichotomy in the Hubbard model at weak coupling: a parquet dual fermion approach

We apply the boson exchange parquet solver for dual fermions to the half-filled Hubbard model on a square lattice at small interaction. Our results establish that, in this regime, nonlocal vertex corrections play an important role in the formation of the pseudogap. Namely, in comparison to the simpler ladder approximation, these additional vertex corrections included in the parquet equations enhance the coupling of spin fluctuations with the quasiparticles. The pseudogap thus opens already at a higher temperature, in quantitative agreement with the numerically exact diagrammatic Monte Carlo. The representation of the parquet diagrams in terms of boson exchange facilitates large lattice sizes and gives rise to an unbiased fluctuation diagnostic of the self-energy, which does not rely on the Fierz ambiguity. The fluctuation diagnostic implies that nodal and antinodal fermions are affected equally by spin fluctuations with the exact commensurate nesting vector $(π,π)$. However, the antinode couples more efficiently to incommensurate fluctuations than the node, leading to the nodal/antinodal dichotomy. We corroborate this finding in terms of a spin-fermion-like calculation.

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arXiv2018

Analytical investigation of singularities in two-particle irreducible vertex functions of the Hubbard atom

Two-particle generalized susceptibilities and their irreducible vertex functions play a prominent role in the quantum many-body theory for correlated electron systems. They act as basic building blocks in the parquet formalism which provides a flexible scheme for the calculation of spectral and response functions. The irreducible vertices themselves have recently attracted increased attention as unexpected divergences in these functions have been identified. Remarkably, such singularities appear already for one of the simplest strongly interacting systems: the atomic limit of the half-filled Hubbard model (Hubbard atom). In this paper, we calculate the analytical expressions for all two-particle irreducible vertex functions of the Hubbard atom in all scattering channels as well as the fully irreducible two-particle vertices. We discuss their divergences and classify them by the eigenvalues and eigenvectors of the corresponding generalized susceptibilities. In order to establish a connection to the recently found multivaluedness of the exact self-energy functional $Σ[G]$, we show that already an approximation akin to iterated perturbation theory is sufficient to capture, qualitatively, the divergent structure of the vertex functions. Finally, we show that the localized divergences in the disordered binary mixture model are directly linked to a minimum in the single-particle Matsubara Green's function.

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arXiv2018

Efficient Bethe-Salpeter equations' treatment in dynamical mean-field theory

We present here two alternative schemes designed to correct the high-frequency truncation errors in the numerical treatment of the Bethe-Salpeter equations. The schemes are applicable to all Bethe-Salpeter calculations with a local two-particle irreducible local, which is relevant, e.g., for the dynamical mean-field theory (DMFT) and its diagrammatic extensions. In particular, within a purely diagrammatic framework, we could extend existing algorithms for treating the static case in the particle-hole sector to more general procedures applicable to all bosonic frequencies and all channels. After illustrating the derivation and the theoretical interrelation of the two proposed schemes, these have been applied to the Bethe-Salpeter equations for the auxiliary Anderson impurity models of selected DMFT calculations, where results can be compared against a numerically "exact" solution. The successful performance of the proposed schemes suggests that their implementation can significantly improve the accuracy of dynamical mean-field theory (DMFT) calculations at the two-particle level, in particular for more realistic multi-orbital calculations where the large number of degrees of freedom substantially restricts the actual frequency range for numerical calculations, as well as -on a broader perspective- of the diagrammatic extensions of DMFT.

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arXiv2017

Local correlation functions of arbitrary order for the Falicov-Kimball model

Local n-particle vertex functions represent the crucial ingredient for all diagrammatic extensions of dynamical mean field theory (DMFT). Hitherto their application has been restricted -with a few exceptions- to the n=2-particle vertex while higher-order vertices have been neglected. In this paper we derive a general analytical expression for the n-particle (one-particle reducible) vertex of the Falicov-Kimball model (FKM). We observe that the magnitude of such vertex functions itself strongly increases with the particle-number n. On the other hand, their effect on generic Feynman diagrams remains rather moderate due to the damping effect of the Green's functions present in such diagrams. Nevertheless, they yield important contributions to the self-energy corrections calculated in diagrammatic extensions of DMFT as we explicitly demonstrate using the example of dual fermion (DF) calculations for the two-dimensional FKM at quarter filling of stationary f-electrons where corrections to the self-energy obtained from the three-particle vertex are indeed comparable in magnitude to corresponding corrections stemming from the two-particle vertex.

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arXiv2012

Local Electronic Correlation at the Two-Particle Level

Electronic correlated systems are often well described by dynamical mean field theory (DMFT). While DMFT studies have mainly focused hitherto on one-particle properties, valuable information is also enclosed into local two-particle Green's functions and vertices. They represent the main ingredient to compute momentum-dependent response functions at the DMFT level and to treat non-local spatial correlations at all length scales by means of diagrammatic extensions of DMFT. The aim of this paper is to present a DMFT analysis of the local reducible and irreducible two-particle vertex functions for the Hubbard model in the context of an unified diagrammatic formalism. An interpretation of the observed frequency structures is also given in terms of perturbation theory, of the comparison with the atomic limit, and of the mapping onto the attractive Hubbard model.

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