arXiv subjects

Marcel Klett

Publications and source records attributed to Marcel Klett.

13 recordsLinked to original sources

arXiv2025

Coherent cellular dynamical mean-field theory: a real-space quantum embedding approach to disorder in strongly correlated electron systems

We formulate a quantum embedding algorithm in real-space for the simultaneous theoretical treatment of nonlocal electronic correlations and disorder, the coherent cellular dynamical mean-field theory (C-CDMFT). This algorithm combines the molecular coherent potential approximation with the cellular dynamical mean-field theory. After a pedagogical review of quantum embedding theories for disordered and interacting electron systems, and a detailed discussion of its work flow, we present first results from C-CDMFT for the half-filled two-dimensional Anderson-Hubbard model on a square lattice: (i) the analysis of its Mott metal-insulator transition as a function of disorder strength, and (ii) the impact of different types of disorder on its magnetic phase diagram. For the latter, by means of a ``disorder diagnostics'', we are able to precisely identify the contributions of different disorder configurations to the system's magnetic response.

cond-mat.str-el↗

arXiv2025

Single-particle spectra and magnetic susceptibility in the Emery model: a dynamical mean-field perspective

We investigate dynamical mean-field calculations of the three-band Emery model at the one- and two-particle level for material-realistic parameters of high-$T_c$ superconductors. Our study shows that even within dynamical mean-field theory, which accounts solely for temporal fluctuations, the intrinsic multi-orbital nature of the Emery model introduces effective non-local correlations. These correlations lead to a non-Curie-like temperature dependence of the magnetic susceptibility, consistent with nuclear magnetic resonance experiments in the pseudogap regime. By analyzing the temperature dependence of the uniform static spin susceptibility obtained by single-site and cluster dynamical mean-field theory, we find indications of emerging oxygen-copper singlet fluctuations, explicitly captured by the model. Despite correctly describing the hallmark of the pseudogap at the two-particle level, such as the drop in the Knight shift of nuclear magnetic resonance, dynamical mean-field theory fails to capture the spectral properties of the pseudogap.

cond-mat.str-el↗

arXiv2024

Superconductivity and Mottness in Organic Charge Transfer Materials

The phase diagrams of quasi two-dimensional organic superconductors display a plethora of fundamental phenomena associated with strong electron correlations, such as unconventional superconductivity, metal-insulator transitions, frustrated magnetism and spin liquid behavior. We analyze a minimal model for these compounds, the Hubbard model on an anisotropic triangular lattice, using cutting-edge quantum embedding methods respecting the lattice symmetry. We demonstrate the existence of unconventional superconductivity by directly entering the symmetry-broken phase. We show that the crossover from the Fermi liquid metal to the Mott insulator is associated with the formation of a pseudogap. The predicted momentum-selective destruction of the Fermi surface into hot and cold regions provides motivation for further spectroscopic studies. Our results are in remarkable agreement with experimental phase diagrams of $κ$-BEDT organics.

cond-mat.str-el↗

arXiv2024

Mott transition and pseudogap of the square-lattice Hubbard model: results from center-focused cellular dynamical mean-field theory

The recently proposed center-focused post-processing procedure [Phys. Rev. Research 2, 033476 (2020)] of cellular dynamical mean-field theory suggests that central sites of large impurity clusters are closer to the exact solution of the Hubbard model than the edge sites. In this paper, we systematically investigate results in the spirit of this center-focused scheme for several cluster sizes up to $8\times 8$ in and out of particle-hole symmetry. First we analyze the metal-insulator crossovers and transitions of the half-filled Hubbard model on a simple square lattice. We find that the critical interaction of the crossover is reduced with increasing cluster sizes and the critical temperature abruptly drops for the $4\times 4$ cluster. Second, for this cluster size, we apply the center-focused scheme to a system with more realistic tight-binding parameters, investigating its pseudogap regime as a function of temperature and doping, where we find doping dependent metal-insulator crossovers, Lifshitz transitions and a strongly renormalized Fermi-liquid regime. Additionally to diagnosing the real space origin of the suppressed antinodal spectral weight in the pseudogap regime, we can infer hints towards underlying charge ordering tendencies.

cond-mat.str-el↗

arXiv2023

Mott insulators with boundary zeros

The topological classification of electronic band structures is based on symmetry properties of Bloch eigenstates of single-particle Hamiltonians. In parallel, topological field theory has opened the doors to the formulation and characterization of non-trivial phases of matter driven by strong electron-electron interaction. Even though important examples of topological Mott insulators have been constructed, the relevance of the underlying non-interacting band topology to the physics of the Mott phase has remained unexplored. Here, we show that the momentum structure of the Green's function zeros defining the ``Luttinger surface" provides a topological characterization of the Mott phase related, in the simplest description, to the one of the single-particle electronic dispersion. Considerations on the zeros lead to the prediction of new phenomena: a topological Mott insulator with an inverted gap for the bulk zeros must possess gapless zeros at the boundary, which behave as a form of ``topological antimatter'' annihilating conventional edge states. Placing band and Mott topological insulators in contact produces distinctive observable signatures at the interface, revealing the otherwise spectroscopically elusive Green's function zeros.

cond-mat.str-el↗

arXiv2023

Magnetism and Metallicity in Moiré Transition Metal Dichalcogenides

The ability to control the properties of twisted bilayer transition metal dichalcogenides in situ makes them an ideal platform for investigating the interplay of strong correlations and geometric frustration. Of particular interest are the low energy scales, which make it possible to experimentally access both temperature and magnetic fields that are of the order of the bandwidth or the correlation scale. In this manuscript we analyze the moiré Hubbard model, believed to describe the low energy physics of an important subclass of the twisted bilayer compounds. We establish its magnetic and the metal-insulator phase diagram for the full range of magnetic fields up to the fully spin polarized state. We find a rich phase diagram including fully and partially polarized insulating and metallic phases of which we determine the interplay of magnetic order, Zeeman-field, and metallicity, and make connection to recent experiments.

cond-mat.str-el↗

arXiv2021

Magnetic properties and pseudogap formation in infinite-layer nickelates: insights from the single-band Hubbard model

We study the magnetic and spectral properties of a single-band Hubbard model for the infinite-layer nickelate compound LaNiO$_2$. As spatial correlations turn out to be the key ingredient for understanding its physics, we use two complementary extensions of the dynamical mean-field theory to take them into account: the cellular dynamical mean-field theory and the dynamical vertex approximation. Additionally to the systematic analysis of the doping dependence of the non-Curie-Weiss behavior of the uniform magnetic susceptibility, we provide insight into its relation to the formation of a pseudogap regime by the calculation of the one-particle spectral function and the magnetic correlation length. The latter is of the order of a few lattice spacings when the pseudogap opens, indicating a strong-coupling pseudogap formation in analogy to cuprates.

cond-mat.str-el↗

arXiv2021

Mott insulating states with competing orders in the triangular lattice Hubbard model

The physics of the triangular lattice Hubbard model exhibits a rich phenomenology, ranging from a metal-insulator transition, intriguing thermodynamic behavior, and a putative spin liquid phase at intermediate coupling, ultimately becoming a magnetic insulator at strong coupling. In this multimethod study, we combine a finite-temperature tensor network method, minimally entangled thermal typical states (METTS), with two Green-function-based methods, connected-determinant diagrammatic Monte Carlo and cellular dynamical mean-field theory, to establish several aspects of this model. We elucidate the evolution from the metallic to the insulating regime from the complementary perspectives brought by these different methods. We compute the full thermodynamics of the model on a width-four cylinder using METTS in the intermediate to strong coupling regime. We find that the insulating state hosts a large entropy at intermediate temperatures, which increases with the strength of the coupling. Correspondingly, and consistently with a thermodynamic Maxwell relation, the double occupancy has a minimum as a function of temperature which is the manifestation of the Pomeranchuk effect of increased localization upon heating. The intermediate coupling regime is found to exhibit both pronounced chiral as well as stripy antiferromagnetic spin correlations. We propose a scenario in which time-reversal symmetry-broken states compete with stripy-spin states at lowest temperatures.

cond-mat.str-el↗

arXiv2021

Tracking the Footprints of Spin Fluctuations: A MultiMethod, MultiMessenger Study of the Two-Dimensional Hubbard Model

The Hubbard model represents the fundamental model for interacting quantum systems and electronic correlations. Using the two-dimensional half-filled Hubbard model at weak coupling as a testing ground, we perform a comparative study of a comprehensive set of state of the art quantum many-body methods. Upon cooling into its insulating antiferromagnetic ground-state, the model hosts a rich sequence of distinct physical regimes with crossovers between a high-temperature incoherent regime, an intermediate temperature metallic regime and a low-temperature insulating regime with a pseudogap created by antiferromagnetic fluctuations. We assess the ability of each method to properly address these physical regimes and crossovers through the computation of several observables probing both quasiparticle properties and magnetic correlations, with two numerically exact methods (diagrammatic and determinantal quantum Monte Carlo) serving as a benchmark. By combining computational results and analytical insights, we elucidate the nature and role of spin fluctuations in each of these regimes. Based on this analysis, we explain how quasiparticles can coexist with increasingly long-range antiferromagnetic correlations, and why dynamical mean-field theory is found to provide a remarkably accurate approximation of local quantities in the metallic regime. We also critically discuss whether imaginary time methods are able to capture the non-Fermi liquid singularities of this fully nested system.

cond-mat.str-el↗

arXiv2020

Real-space cluster dynamical mean-field theory: Center focused extrapolation on the one- and two particle level

We revisit the cellular dynamical mean-field theory (CDMFT) for the single band Hubbard model on the square lattice at half filling, reaching real-space cluster sizes of up to 9 x 9 sites. Using benchmarks against direct lattice diagrammatic Monte Carlo at high temperature, we show that the self-energy obtained from a cluster center focused extrapolation converges faster with the cluster size than the periodization schemes previously introduced in the literature. The same benchmark also shows that the cluster spin susceptibility can be extrapolated to the exact result at large cluster size, even though its spatial extension is larger than the cluster size.

cond-mat.str-el↗

arXiv2018

Topological edge states in the Su-Schrieffer-Heeger model subject to balanced particle gain and loss

We investigate the Su-Schrieffer-Heeger model in presence of an injection and removal of particles, introduced via a master equation in Lindblad form. It is shown that the dynamics of the density matrix follows the predictions of calculations in which the gain and loss are modeled by complex $\mathcal{PT}$-symmetric potentials. In particular it is found that there is a clear distinction in the dynamics between the topologically different cases known from the stationary eigenstates.

quant-ph↗

arXiv2017

Relation between $\mathcal{PT}$-symmetry breaking and topologically nontrivial phases in the SSH and Kitaev models

Non-Hermitian systems with $\mathcal{PT}$ symmetry can possess purely real eigenvalue spectra. In this work two one-dimensional systems with two different topological phases, the topological nontrivial Phase (TNP) and the topological trivial phase (TTP) combined with $\mathcal{PT}$-symmetric non-Hermitian potentials are investigated. The models of choice are the Su-Schrieffer-Heeger (SSH) model and the Kitaev chain. The interplay of a spontaneous $\mathcal{PT}$-symmetry breaking due to gain and loss with the topological phase is different for the two models. The SSH model undergoes a $\mathcal{PT}$-symmetry breaking transition in the TNP immediately with the presence of a non-vanishing gain and loss strength $γ$, whereas the TTP exhibits a parameter regime in which a purely real eigenvalue spectrum exists. For the Kitaev chain the $\mathcal{PT}$-symmetry breaking is independent of the topological phase. We show that the topological interesting states -- the edge states -- are the reason for the different behaviors of the two models and that the intrinsic particle-hole symmetry of the edge states in the Kitaev chain is responsible for a conservation of $\mathcal{PT}$ symmetry in the TNP.

quant-ph↗

arXiv2015

State Flip at Exceptional Points in Atomic Spectra

We study the behavior of the non-adiabatic population transfer between resonances at an exceptional point in the spectrum of the hydrogen atom. It is known that, when the exceptional point is encircled, the system always ends up in the same state, independent of the initial occupation within the two-dimensional subspace spanned by the states coalescing at the exceptional point. We verify this behavior for a realistic quantum system, viz. the hydrogen atom in crossed electric and magnetic fields. It is also shown that the non-adiabatic hypothesis can be violated when resonances in the vicinity are taken into account. In addition, we study the non-adiabatic population transfer in the case of a third-order exceptional point, in which three resonances are involved.

quant-ph↗