arXiv subjects

Carsten Honerkamp

Publications and source records attributed to Carsten Honerkamp.

At least 37 records · Page 2Linked to original sources

arXiv2020

Functional renormalization group for fermion lattice models in three dimensions: application to the Hubbard model on the cubic lattice

The channel-decomposed functional renormalization group (FRG) approach, most recently in the variant of truncated-unity-(TU-)FRG, has so far been used for various two-dimensional model systems. Yet, for many interesting material systems the third spatial dimension is of clear relevance. Therefore FRG schemes working in three spatial dimensions (3D) are definitely on the wishlist. Here we demonstrate that a 3D TUFRG scheme can be set up in straightforward extension of previous 2D codes and gives physically sensible results with affordable numerical effort, both regarding the qualitative as well as the quantitative description. The computed phase diagram of the three-dimensional Hubbard model at half filling or perfect nesting shows a phase transition to a $(π,π,π)$-ordered antiferromagnetic ground state for repulsive interactions at an energy scale that compares well with other numerical approaches in the literature. Furthermore, the method allowed us to detect a $d$-wave pairing and a concurring $(π,π,0)$ antiferromagnetic ground state in the hole doped Hubbard model.

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arXiv2020

Truncated Unity Parquet Solver

We present an implementation of a truncated unity parquet solver (TUPS) which solves the parquet equations using a truncated form-factor basis for the fermionic momenta. This way fluctuations from different scattering channels are treated on an equal footing. The essentially linear scaling of computational costs in the number of untruncated bosonic momenta allows us to treat system sizes of up to 76x76 discrete lattice momenta, unprecedented by previous unbiased methods that include the frequency dependence of the vertex. With TUPS, we provide the first numerical evidence that the parquet approximation might indeed respect the Mermin-Wagner theorem and further systematically analyze the convergence with respect to the number of form factors. Using a single form factor seems to qualitatively describe the physics of the half-filled Hubbard model correctly, including the pseudogap behaviour. Quantitatively, using a single or a few form factors only is not sufficient at lower temperatures or stronger coupling.

cond-mat.str-el↗

arXiv2020

Quantifying the fragility of unprotected quadratic band crossing points

We examine a basic lattice model of interacting fermions that exhibits quadratic band crossing points (QBCPs) in the non-interacting limit. In particular, we consider spinless fermions on the honeycomb lattice with nearest neighbor hopping $t$ and third-nearest neighbor hopping $t''$, which exhibits fine-tuned QBCPs at the corners of the Brillouin zone for ${t'' = t/2}$. In this situation, the density of states remains finite at the Fermi level of the half-filled band and repulsive nearest-neighbor interactions $V$ lead to a charge-density-wave (CDW) instability at infinitesimally small $V$ in the random-phase approximation or mean-field theory. We examine the fragility of the QBCPs against dispersion renormalizations in the ${t\mbox{-}t''\mbox{-}V}$ model using perturbation theory, and find that the $t''$-value needed for the QBCPs increases with $V$ due to the hopping renormalization. However, the instability toward CDW formation always requires a nonzero threshold interaction strength, i.e., one cannot fine-tune $t''$ to recover the QBCPs in the interacting system. These perturbative arguments are supported by quantum Monte Carlo simulations for which we carefully compare the corresponding threshold scales at and beyond the QBCP fine-tuning point. From this analysis, we thus gain a quantitative microscopic understanding of the fragility of the QBCPs in this basic interacting fermion system.

cond-mat.str-el↗

arXiv2019

Multiloop functional renormalization group for the two-dimensional Hubbard model: Loop convergence of the response functions

We present a functional renormalization group (fRG) study of the two dimensional Hubbard model, performed with an algorithmic implementation which lifts some of the common approximations made in fRG calculations. In particular, in our fRG flow; (i) we take explicitly into account the momentum and the frequency dependence of the vertex functions; (ii) we include the feedback effect of the self-energy; (iii) we implement the recently introduced multiloop extension which allows us to sum up {\emph{all}} the diagrams of the parquet approximation with their exact weight. Due to its iterative structure based on successive one-loop computations, the loop convergence of the fRG results can be obtained with an affordable numerical effort. In particular, focusing on the analysis of the physical response functions, we show that the results become {\emph{independent}} from the chosen cutoff scheme and from the way the fRG susceptibilities are computed, i.e., either through flowing couplings to external fields, or through a "post-processing" contraction of the interaction vertex at the end of the flow. The presented substantial refinement of fRG-based computation schemes paves a promising route towards future quantitative fRG analyses of more challenging systems and/or parameter regimes.

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arXiv2019

Inherited and flatband-induced ordering in twisted graphene bilayers

The nature of the insulating and superconducting states in twisted bilayer graphene systems is intensely debated. While many works seek for explanations in the few flat bands near the Fermi level, theory and a number of experiments suggest that nontwisted bilayer graphene systems do exhibit - or are at least close to - an ordered, insulating ground state related to antiferromagnetic ordering. Here we investigate in which ways this magnetic ordering scenario is affected by the slight twisting between the layers. We find that at charge neutrality the ordering tendencies of twisted systems interpolate between those of untwisted AA and AB stacked bilayers at intermediate temperatures, while at lower temperatures of the order of typical flat-band dispersion energies, the ordering tendencies are even enhanced for the twisted systems. The preferred order at charge neutrality still exhibits an antiferromagnetic spin arrangement, with ordered moments alternating on the carbon-carbon bonds, with an enveloping variation on the moiré scale. This ordering can be understood as inherited from the untwisted systems. However, even in the RPA analysis, the possible low-energy behaviors are quite versatile, and slight doping of one or more electrons per moiré cell can take the system into a, potentially flat-band induced, ferromagnetic phase.

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arXiv2019

Competing phases of interacting electrons on triangular lattices in moiré heterostructures

We study the quantum many-body instabilities of interacting electrons with SU(2)$\times$SU(2) symmetry in spin and orbital degrees of freedom on the triangular lattice near van-Hove filling. Our work is motivated by effective models for the flat bands in hexagonal moiré heterostructures like twisted bilayer boron nitride and trilayer graphene-boron nitride systems. We consider an extended Hubbard model including onsite Hubbard and Hund's couplings, as well as nearest-neighbor exchange interactions and analyze the different ordering tendencies with the help of an unbiased functional renormalization group approach. We find three classes of instabilities controlled by the filling and bare interactions. For a nested Fermi surface at van-Hove filling, Hund-like couplings induce a weak instability towards spin or orbital density wave phases. An SU(4) exchange interaction moves the system towards a Chern insulator, which is robust with respect to perturbations from Hund-like interactions or deviations from perfect nesting. Further, in an extended range of fillings and interactions, we find topological $d\pm id$ and (spin-singlet)-(orbital-singlet) $f$-wave superconductivity.

cond-mat.str-el↗

arXiv2018

On the limitations of cRPA downfolding

We check the accuracy of the constrained random phase approximation (cRPA) downfolding scheme by considering one-dimensional two- and three-orbital Hubbard models with a target band at the Fermi level and one or two screening bands away from the Fermi level. Using numerically exact quantum Monte Carlo simulations of the full and downfolded model we demonstrate that depending on filling the effective interaction in the low-energy theory is either barely screened, or antiscreened, in contrast to the cRPA prediction. This observation is explained by a functional renormalization group analysis which shows that the cRPA contribution to the screening is to a large extent cancelled by other diagrams in the direct particle-hole channel. We comment on the implications of this finding for the ab-initio estimation of interaction parameters in low-energy descriptions of solids.

cond-mat.str-el↗

arXiv2018

Efficient vertex parametrization for the constrained functional renormalization group for effective low-energy interactions in multiband systems

We describe an efficient approximation for the electron-electron interaction in the determination of the low-energy effective interaction in multiband lattice systems. By using ideas for channel decomposition, form-factor expansion and the truncated-unity technique we describe the interaction as arising from the non-local and orbital-dependent coupling of particle-hole and particle-particle bilinears formed by fields residing in the same one or two orbitals. This allows us to employ the constrained functional renormalization group (cfRG) with a suitable momentum and frequency discretization. The approach gives insights into the non-local screening of spin and charge interactions when bands away from the Fermi level are integrated out. Specifically, we compute the effective low-energy interactions in the low-energy target band of a three-band model with onsite and non-local bare interactions. We show that the cfRG adds important features to the effective target-band interaction that cannot be found using the constrained random phase approximation (cRPA).

cond-mat.str-el↗

arXiv2018

Approximating the frequency dependence of the effective interaction in the functional renormalization group for many-fermion systems

The functional renormalization group has become a widely used tool for the analysis of the leading low-temperature correlations in weakly to moderately coupled many-fermion lattice systems. A bottleneck for quantitatively more precise results is that the treatment of the frequency dependence of the flowing interactions is numerically quite demanding. Yet the frequency dependence is needed to compute relevant selfenergies and hence for controlled results on the energy scales for ordering or for the quasiparticle properties. Here we explore an approximate parametrization of the frequency dependence of the interaction vertex that is inspired by established simplifications in the theory of superconductivity and that keeps the numerical effort bounded. We demonstrate the validity of the approximation for Cooper pairing problems and apply it to the two-dimensional Hubbard model.

cond-mat.str-el↗

arXiv2017

Influence of hopping selfenergy and quasiparticle degradation on the antiferromagnetic ordering in the bilayer honeycomb Hubbard model

We study the Hubbard model on the AB-stacked bilayer honeycomb lattice with a repulsive onsite interaction U in second order perturbation theory and in self-consistent random phase approximation. We determine the changes in the antiferromagnetic magnetic ordering tendencies due to the real and imaginary parts of the selfenergy at the band crossing points. In particular we present an estimate for the threshold value U* below which the magnetic order is endangered by the splitting of the quadratic band touching points into four Dirac points by an interaction-induced interlayer skew hopping. For most of the parameter space however, the quasiparticle degradation by the frequency-dependence of the sublattice-diagonal selfenergies and the Dirac-cone steepening are more essential for suppressing the AF ordering tendencies considerably. Our results might help to understand to understand the energy scales obtained in renormalization group treatments of the same model and shed light on recent quantum Monte Carlo investigations about the fate of the magnetic ordering down to lower U.

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arXiv2017

Antiferromagnetism and competing charge instabilities of electrons in strained graphene from Coulomb interactions

We study the quantum many-body ground states of electrons on the half-filled honeycomb lattice with short- and long-ranged density-density interactions as a model for graphene. To this end, we employ the recently developed truncated-unity functional renormalization group (TU-fRG) approach which allows for a high resolution of the interaction vertex' wavevector dependence. We connect to previous lattice quantum Monte Carlo (QMC) results which predict a stabilization of the semimetallic phase for realistic \emph{ab initio} interaction parameters and confirm that the application of a finite biaxial strain can induce a quantum phase transition towards an ordered ground state. In contrast to lattice QMC simulations, the TU-fRG is not limited in the choice of tight-binding and interaction parameters to avoid the occurrence of a sign problem. Therefore, we also investigate a range of parameters relevant to the realistic graphene material which are not accessible by numerically exact methods. Although a plethora of charge density waves arise under medium-range interactions, we find the antiferromagnetic spin-density wave to be the prevailing instability for long-range interactions. We further explore the impact of an extended tight-binding Hamiltonian with second-nearest neighbor hopping and a finite chemical potential for a more accurate description of the band structure of graphene's $p_z$ electrons.

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arXiv2015

Correlated spinless fermions on the honeycomb lattice revisited

We investigate the quantum many-body instabilities of the extended Hubbard model for spinless fermions on the honeycomb lattice with repulsive nearest-neighbor and 2nd nearest-neighbor density-density interactions. Recent exact diagonalization and infinite density matrix renormalization group results suggest that a putative topological Mott insulator phase driven by the 2nd nearest-neighbor repulsion is suppressed, while other numerically exact approaches support the topological Mott insulator scenario. In the present work, we employ the functional renormalization group (fRG) for correlated fermionic systems. Our fRG results hint at a strong suppression of the scattering processes stabilizing the topological Mott insulator. From analyzing the effects of fermionic fluctuations, we obtain a phase diagram which is the result of the competition of various charge ordering instabilities.

cond-mat.str-el↗

arXiv2015

Low-energy effective interactions beyond the constrained random-phase approximation by the functional renormalization group

In the derivation of low-energy effective models for solids targeting the bands near the Fermi level, the constrained random phase approximation (cRPA) has become an appreciated tool to compute the effective interactions. The Wick-ordered constrained functional renormalization group (cfRG) generalizes the cRPA approach by including all interaction channels in an unbiased way. Here we present applications of the cfRG to two simple multi-band systems and compare the resulting effective interactions to the cRPA. First we consider a multiband model for monolayer graphene, where we integrate out the $σ$-bands to get an effective theory for $π$-bands. It turns out that terms beyond cRPA are strongly suppressed by the different $xy$-plane reflection symmetry of the bands. In our model the cfRG-corrections to cRPA become visible when one disturbs this symmetry difference slightly, however without qualitative changes. This study shows that the embedding or layering of two-dimensional electronic systems can alter the effective interaction parameters beyond what is expected from screening considerations. The second example is a one-dimensional model for a diatomic system reminiscent of a CuO chain, where we consider an effective theory for Cu 3d-like orbitals. Here the fRG data shows relevant and qualitative corrections compared to the cRPA results. We argue that the new interaction terms affect the magnetic properties of the low-energy model.

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arXiv2015

Triplet pairing driven by Hund's coupling in doped monolayer MoS$_2$

We investigate superconducting pairing driven by electron-electron interactions in a theoretical model for monolayer MoS$_2$ with the temperature-flow functional renormalization group(fRG). At low doping, the dominant instability is toward odd-parity pairing with $f$-wave Mo-nearest-neighbor structure. We compute the fRG phase diagram versus electron doping below the van Hove filling of the conduction band. In the superconducting regime, the critical temperature grows with doping, comparable to the experiments. Near van Hove filling the system favors a ferromagnetic state. We demonstrate that the triplet pairing is driven by ferromagnetic fluctuations and that the multiorbital nature of the conduction band as well as the Hund's coupling appear crucial in making the physics of MoS$_2$ different from e.g. doped graphene.

cond-mat.supr-con↗

arXiv2014

Unconventional pairing and electronic dimerization instabilities in the doped Kitaev-Heisenberg model

We study the quantum many-body instabilities of the $t -J_{\mathrm{K}} - J_{\mathrm{H}}$ Kitaev-Heisenberg Hamiltonian on the honeycomb lattice as a minimal model for a doped spin-orbit Mott insulator. This spin-$1/2$ model is believed to describe the magnetic properties of the layered transition-metal oxide Na$_2$IrO$_3$. We determine the ground-state of the system with finite charge-carrier density from the functional renormalization group (fRG) for correlated fermionic systems. To this end, we derive fRG flow-equations adapted to the lack of full spin-rotational invariance in the fermionic interactions, here represented by the highly frustrated and anisotropic Kitaev exchange term. Additionally employing a set of Ward identities for the Kitaev-Heisenberg model, the numerical solution of the flow equations suggests a rich phase diagram emerging upon doping charge carriers into the ground-state manifold ($\mathbb{Z}_2$ quantum spin liquids and magnetically ordered phases). We corroborate superconducting triplet $p$-wave instabilities driven by ferromagnetic exchange and various singlet pairing phases. For filling $δ> 1/4$, the $p$-wave pairing gives rise to a topological state with protected Majorana edge-modes. For antiferromagnetic Kitaev and ferromagnetic Heisenberg exchange we obtain bond-order instabilities at van Hove filling supported by nesting and density-of-states enhancement, yielding dimerization patterns of the electronic degrees of freedom on the honeycomb lattice. Further, our flow equations are applicable to a wider class of model Hamiltonians.

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arXiv2014

Chiral d-wave superconductivity in doped graphene

A highly unconventional superconducting state with a spin-singlet $d_{x^2-y^2}\pm id_{xy}$-wave, or chiral d-wave, symmetry has recently been proposed to emerge from electron-electron interactions in doped graphene. Especially graphene doped to the van Hove singularity at 1/4 doping, where the density of states diverges, has been argued to likely be a chiral d-wave superconductor. In this review we summarize the currently mounting theoretical evidence for the existence of a chiral d-wave superconducting state in graphene, obtained with methods ranging from mean-field studies of effective Hamiltonians to angle-resolved renormalization group calculations. We further discuss multiple distinctive properties of the chiral d-wave superconducting state in graphene, as well as its stability in the presence of disorder. We also review means of enhancing the chiral d-wave state using proximity-induced superconductivity. The appearance of chiral d-wave superconductivity is intimately linked to the hexagonal crystal lattice and we also offer a brief overview of other materials which have also been proposed to be chiral d-wave superconductors.

cond-mat.supr-con↗

arXiv2014

Functional renormalization group for commensurate antiferromagnets: Beyond the mean-field picture

We present a functional renormalization group (fRG) formalism for interacting fermions on lattices that captures the flow into states with commensurate spin-density wave order. During the flow, the growth of the order parameter is fed back into the flow of the interactions and all modes can be integrated out. This extends previous fRG flows in the symmetric phase that run into a divergence at a nonzero RG scale, i.e., that have to be stopped at the ordering scale. We use the corresponding Ward identity to check the accuracy of the results. We apply our new method to a model with two Fermi pockets that have perfect particle-hole nesting. The results obtained from the fRG are compared with those in random phase approximation.

cond-mat.str-el↗

arXiv2014

Electronic Instabilities of the AA-Honeycomb Bilayer

We use a functional renormalization group approach to study the instabilities due to electron-electron interactions in a bilayer honeycomb lattice model with AA stacking, as it might be relevant for layered graphene with this structure. Starting with a tight- binding description for the four $π$-bands, we integrate out the modes of the dispersion by successively lowering an infrared cutoff and determine the leading tendencies in the effective interactions. The antiferromagnetic spin-density wave is an expected instability for dominant local repulsion among the electrons, but for nonlocal interaction terms also other instabilities occur. We discuss the phase diagrams depending on the model parameters. We compare our results to single-layer graphene and the more common AB-stacked bilayer, both qualitatively and quantitatively.

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