arXiv subjects

Jonas B. Profe

Publications and source records attributed to Jonas B. Profe.

At least 19 recordsLinked to original sources

arXiv2026

Finite-Temperature Flat-Band Ferromagnetism in the Kagome Hubbard Model

Kagome metals exhibit a rich interplay of topology, electronic correlations, and lattice dynamics. Recent discoveries of Kagome materials with a flat band near the Fermi level have revealed a variety of correlated electronic phases. However, elucidating their microscopic origin remains challenging, as realistic descriptions require accounting for multiple orbitals and competing interactions on an equal footing. To disentangle correlation effects from material-specific details and identify the essential physics of the flat-band regime, we study the single-orbital Kagome-Hubbard model at flat-band fillings using dynamical mean-field theory. We find strong signatures of flat-band ferromagnetism, consistent with exact and mean-field ground-state results. Moreover, we uncover an unconventional quasi-ordered phase in which a partially filled spin-polarized flat band pinned at the Fermi level gives rise to persistent local spin fluctuations down to zero temperature, in striking contrast to the classical behavior expected for a conventional ferromagnet. Our results demonstrate that these anomalous fluctuations are an intrinsic consequence of the flat-band degeneracy and establish a minimal framework for understanding correlation effects in flat-band Kagome systems.

cond-mat.str-el↗

arXiv2026

Pressure Tuning of Electronic Correlations and Flat Bands in CsCr$_3$Sb$_5$

CsCr$_3$Sb$_5$ is a newly identified strongly correlated kagome superconductor, characterized by non-Fermi-liquid behavior at elevated temperatures and intertwined charge- and spin-density-wave order below $T_{DW}\approx 54$K. Under external pressure, this order is suppressed and a superconducting phase emerges. This phase diagram, which closely resembles that of high-$T_c$ superconductors, together with a kagome flat band near the Fermi level and possible altermagnetic order, has motivated extensive theoretical and experimental investigations. To better understand how pressure influences the ordered states, we present a systematic study of the evolution of the electronic properties under applied pressure. Performing DFT+DMFT (density functional theory combined with dynamical mean field theory) calculations, we uncover a complex interplay between the redistribution of spectral weight in the flat bands and the strength of electronic correlations under pressure. Our results further strengthen the interpretation that pressure effectively weakens electronic correlations through enhanced orbital hybridization. This, in turn, strongly suggests that superconductivity emerges as a direct consequence of the suppression of the system's ordered phase.

cond-mat.str-el↗

arXiv2025

Excitonic correlations in the equilibrium and voltage-biased bilayer Hubbard model: multi-orbital two-particle self-consistent approach

We develop a nonequilibrium multi-orbital extension of the two-particle self-consistent theory and apply it to the bilayer Hubbard model as a minimal platform to investigate correlation effects in the presence of interlayer interactions and tunneling. The method determines vertex corrections in the spin and charge channels self-consistently at the two-particle level, thereby avoiding the spurious finite-temperature phase transitions that limit dynamical mean-field theory in two dimensions. We derive the spectral self-energy and implement the framework directly on the real-frequency axis within the Keldysh nonequilibrium Green's function formalism, enabling the treatment of both equilibrium and non-equilibrium steady states without relying on numerical analytic continuation. As an application, we demonstrate that a pseudogap can emerge in the bilayer Hubbard model when spin, charge, or excitonic fluctuations become sufficiently strong. Instabilities in different channels are also evaluated in an unbiased manner across the parameter space. Remarkably, we find that the excitonic susceptibility grows with increasing interlayer bias, before it gets suppressed at large biases by the charge imbalance between the layers. This work establishes a versatile and computationally efficient framework for investigating correlated multi-orbital systems under nonequilibrium conditions.

cond-mat.str-el↗

arXiv2025

Symmetry-breaking-induced topology in FeSe

FeSe has been one of the most intensively studied iron-based superconductors over the past two decades, exhibiting a wide range of phenomena such as unconventional superconductivity, nematic order, magnetism, orbital-selective correlations, and structural phase transitions. While topologically non-trivial phases have been identified in certain cases -- such as Te-doped FeSe and monolayer FeSe -- topology in bulk FeSe has largely remained unexplored. In this work, we propose a new route to realize topological phases directly in bulk FeSe. We demonstrate that breaking the tetragonal $C_4$ rotational symmetry, thereby lowering the crystal symmetry, can drive FeSe into a strong topological insulating phase. To support this, we perform density functional theory calculations and analyze the band structure using Topological Quantum Chemistry and symmetry-based indicators. Our results show that both uniaxial strain and temperature-induced structural changes lead to non-trivial band topology. Moreover, incorporating electronic correlations through dynamical mean field theory reveals that the topological characteristics near the Fermi level remain robust, as the relevant bands experience only moderate renormalization. These findings highlight strain as a promising mechanism to induce topological phases in FeSe

cond-mat.mtrl-sci↗

arXiv2025

Exact downfolding and its perturbative approximation

Solving the many-electron problem, even approximately, is one of the most challenging and simultaneously most important problems in contemporary condensed matter physics with various connections to other fields. The standard approach is to follow a divide and conquer strategy that combines various numerical and analytical techniques. A crucial step in this strategy is the derivation of an effective model for a subset of degrees of freedom by a procedure called downfolding, which often corresponds to integrating out energy scales far away from the Fermi level. In this work we present a rigorous formulation of this downfolding procedure, which complements the renormalization group picture put forward by Honerkamp [PRB 85, 195129 (2012)}]. We derive an exact effective model in an arbitrarily chosen target space (e.g. low-energy degrees of freedom) by explicitly integrating out the the rest space (e.g. high-energy degrees of freedom). Within this formalism we state conditions that justify a perturbative truncation of the downfolded effective interactions to just a few low-order terms. Furthermore, we utilize the exact formalism to formally derive the widely used constrained random phase approximation (cRPA), uncovering underlying approximations and highlighting relevant corrections in the process. Lastly, we detail different contributions in the material examples of fcc Nickel and the infinite-layer cuprate SrCuO$_2$. Our results open up a new pathway to obtain effective models in a controlled fashion and to judge whether a chosen target space is suitable.

cond-mat.str-el↗

arXiv2024

Efficiency of the hidden fermion determinant states Ansatz in the light of different complexity measures

Finding reliable approximations to the quantum many-body problem is one of the central challenges of modern physics. Elemental to this endeavor is the development of advanced numerical techniques pushing the limits of what is tractable. One such recently proposed numerical technique are neural quantum states. This new type of wavefunction based Ans\"atze utilizes the expressivity of neural networks to tackle fundamentally challenging problems, such as the Mott transition. In this paper we aim to gauge the universalness of one representative of neural network Ans\"atze, the hidden-fermion slater determinant approach. To this end, we study five different fermionic models each displaying volume law scaling of the entanglement entropy. For these, we correlate the effectiveness of the Ansatz with different complexity measures. Each measure indicates a different complexity in the absence of which a conventional Ansatz becomes efficient. We provide evidence that whenever one of the measures indicates proximity to a parameter region in which a conventional approach would work reliable, the neural network approach also works reliable and efficient. This highlights the great potential, but also challenges for neural network approaches: Finding suitable points in theory space around which to construct the Ansatz in order to be able to efficiently treat models unsuitable for their current designs.

quant-ph↗

arXiv2024

Multi-orbital two-particle self-consistent approach -- strengths and limitations

Extending many-body numerical techniques which are powerful in the context of simple model calculations to the realm of realistic material simulations can be a challenging task. Realistic systems often involve multiple active orbitals, which increases the complexity and numerical cost because of the large local Hilbert space and the large number of interaction terms or sign-changing off-diagonal Green's functions. The two-particle self-consistent approach (TPSC) is one such many-body numerical technique, for which multi-orbital extensions have proven to be involved due to the substantially more complex structure of the local interaction tensor. In this paper we extend earlier multi-orbital generalizations of TPSC by setting up two different variants of a fully self-consistent theory for TPSC in multi-orbital systems. We first investigate the strengths and limitations of the approach analytically and then benchmark both variants against dynamical mean-field theory (DMFT) and D-TRILEX results. We find that the exact behavior of the system can be faithfully reproduced in the weak-coupling regime, while at stronger couplings the performance of the two TPSC variants strongly depends on details of the system.

cond-mat.str-el↗

arXiv2024

Super-resolution imaging of nanoscale inhomogeneities in hBN-covered and encapsulated few-layer graphene

Encapsulating few-layer graphene (FLG) in hexagonal boron nitride (hBN) can cause nanoscale inhomogeneities in the FLG, including changes in stacking domains and topographic defects. Due to the diffraction limit, characterizing these inhomogeneities is challenging. Recently, the visualization of stacking domains in encapsulated four-layer graphene (4LG) has been demonstrated with phonon polariton (PhP)-assisted near-field imaging. However, the underlying coupling mechanism and ability to image subdiffractional-sized inhomogeneities remain unknown. Here, we retrieve direct replicas and magnified images of subdiffractional-sized inhomogeneities in hBN-covered trilayer graphene (TLG) and encapsulated 4LG, enabled by the hyperlensing effect. This hyperlensing effect is mediated by hBN's hyperbolic PhP that couple to the FLG's plasmon polaritons. Using near-field microscopy, we identify the coupling by determining the polariton dispersion in hBN-covered TLG to be stacking-dependent. Our work demonstrates super-resolution and magnified imaging of inhomogeneities, paving the way for the realization of homogeneous encapsulated FLG transport samples to study correlated physics.

physics.optics↗

arXiv2024

Magic angle of Sr$_2$RuO$_4$: Optimizing correlation-driven superconductivity

Understanding of unconventional superconductivity is crucial for engineering materials with specific order parameters or elevated superconducting transition temperatures. However, for many materials, the pairing mechanism and symmetry of the order parameter remain unclear: reliable and efficient methods of predicting the order parameter and its response to tuning parameters are lacking. Here, we investigate the response of superconductivity in Sr$_2$RuO$_4$ to structural distortions via the random phase approximation (RPA) and functional renormalization group (FRG), starting from realistic models of the electronic structure. Our results suggest that RPA misses the interplay of competing fluctuation channels. FRG reproduces key experimental findings. We predict a magic octahedral rotation angle, maximizing the superconducting $T_c$ and a dominant $d_{x^2-y^2}$ pairing symmetry. To enable experimental verification, we provide calculations of the phase-referenced Bogoliubov Quasiparticle Interference imaging. Our work demonstrates a designer approach to tuning unconventional superconductivity with relevance and applicability for a wide range of quantum materials.

cond-mat.supr-con↗

arXiv2024

Why Scanning Tunneling Microscopy on Sr$_2$RuO$_4$ sometimes doesn't see the superconducting gap

Scanning tunneling microscopy (STM) is perhaps the most promising way to detect the superconducting gap size and structure in the canonical unconventional superconductor Sr$_2$RuO$_4$ directly. However, in many cases, researchers have reported being unable to detect the gap at all in simple STM conductance measurements. Recently, an investigation of this issue on various local topographic structures on a Sr-terminated surface found that superconducting spectra appeared only in the region of small nanoscale canyons, corresponding to the removal of one RuO surface layer. Here, we analyze the electronic structure of various possible surface structures using first principles methods, and argue that bulk conditions favorable for superconductivity can be achieved when removal of the RuO layer suppresses the RuO$_4$ octahedral rotation locally. We further propose alternative terminations to the most frequently reported Sr termination where superconductivity surfaces should be observed.

cond-mat.supr-con↗

arXiv2024

The kagome Hubbard model from a functional renormalization group perspective

The recent discovery of a variety of intricate electronic order in kagome metals has sprouted significant theoretical and experimental interest. From an electronic perspective on the potential microscopic origin of these phases, the most basic model is given by a Hubbard model on the kagome lattice. We employ functional renormalization group (FRG) to analyze the kagome Hubbard model. Through our methodological refinement of FRG both within its N-patch and truncated unity formulation, we resolve previous discrepancies of different FRG approaches (Wang et al., 2013 vs. Kiesel et al., 2013), and analyze both the pure ($p$-type) and mixed ($m$-type) van Hove fillings of the kagome lattice. We further study the RG flow into symmetry broken phases to identify the energetically preferred linear combination of the respective order parameter without any need for additional mean field analysis. Our findings suggest some consistency with recent experiments, and underline the richness of electronic phases already found in the kagome Hubbard model. We also provide a no-go theorem for a complex charge bond ordered phase in the single orbital kagome Hubbard model, suggesting that this model cannot capture aspects of orbital current phases.

cond-mat.str-el↗

arXiv2023

divERGe implements various Exact Renormalization Group examples

We present divERGe, an open source, high-performance C/C++/Python library for functional renormalization group (FRG) calculations on lattice fermions. The versatile model interface is tailored to real materials applications and seamlessly integrates with existing, standard tools from the ab-initio community. The code fully supports multi-site, multi-orbital, and non-SU(2) models in all of the three included FRG variants: TU$^2$FRG, N-patch FRG, and grid FRG. With this, the divERGe library paves the way for widespread application of FRG as a tool in the study of competing orders in quantum materials.

cond-mat.str-el↗

arXiv2023

Phonon-mediated unconventional $s$- and $f$-wave pairing superconductivity in rhombohedral stacked multilayer graphene

Understanding the origin of superconductivity in correlated two-dimensional materials is a key step in leveraging material engineering techniques for next-generation nanoscale devices. The recent demonstration of superconductivity in Bernal bilayer and rhombohedral trilayer graphene, as well as in a large family of graphene-based moir\'e systems, indicate a common superconducting mechanism across these platforms. Here we combine first principles simulations with effective low-energy theories to investigate the superconducting mechanism and pairing symmetry in rhombohedral stacked graphene multilayers. We find that a phonon-mediated attraction can quantitatively explain the main experimental findings, namely the displacement field and doping dependence of the critical temperature and the presence of two superconducting regions whose pairing symmetries depend on the parent normal state. In particular, we find that intra-valley phonon scattering favors a triplet $f$-wave pairing out of a spin and valley polarized normal state. We also propose a new and so far unexplored superconducting region at higher hole doping densities $n_h \approx 4 \times 10^{12}$ cm$^{-2}$, and demonstrate how this large hole-doped regime can be reached in heterostructures consisting of monolayer $\alpha$-RuCl$_3$ and rhombohedral trilayer graphene.

cond-mat.supr-con↗

arXiv2023

Competition between d-wave superconductivity and magnetism in uniaxially strained Sr2RuO4

The pairing symmetry of Sr$_2$RuO$_4$ is a long-standing fundamental question in the physics of superconducting materials with strong electronic correlations. We use the functional renormalization group to investigate the behavior of superconductivity under uniaxial strain in a two-dimensional realistic model of Sr$_2$RuO$_4$ obtained with density functional theory and incorporating the effect of spin-orbit coupling. We find a dominant $d_{x^2-y^2}$ superconductor mostly hosted by the $d_{xy}$-orbital, with no other closely competing superconducting state. Within this framework we reproduce the experimentally observed enhancement of the critical temperature under strain and propose a simple mechanism driven by the density of states to explain our findings. We also investigate the competition between superconductivity and spin-density wave ordering as a function of interaction strength. By comparing theory and experiment, we discuss constraints on a possible degenerate partner of the $d_{x^2-y^2}$ superconducting state.

cond-mat.supr-con↗

arXiv2023

Spin and Charge Fluctuation Induced Pairing in ABCB Tetralayer Graphene

Motivated by the recent experimental realization of ABCB stacked tetralayer graphene [Wirth et al., ACS Nano 16, 16617 (2022)], we study correlated phenomena in moir\'e-less graphene tetralayers for realistic interaction profiles using an orbital resolved random phase approximation approach. We demonstrate that magnetic fluctuations originating from local interactions are crucial close to the van Hove singularities on the electron- and hole-doped side promoting layer selective ferrimagnetic states. Spin fluctuations around these magnetic states enhance unconventional spin-triplet, valley-singlet superconductivity with $f$-wave symmetry due to intervalley scattering. Charge fluctuations arising from long range Coulomb interactions promote doubly degenerate p-wave superconductivity close to the van Hove singularities. At the conduction band edge of ABCB graphene, we find that both spin and charge fluctuations drive $f$-wave superconductivity. Our analysis suggests a strong competition between superconducting states emerging from long- and short-ranged Coulomb interactions and thus stresses the importance of microscopically derived interaction profiles to make reliable predictions for the origin of superconductivity in graphene based heterostructures.

cond-mat.supr-con↗

arXiv2022

Rashba spin-orbit coupling in the square lattice Hubbard model: A truncated-unity functional renormalization group study

The Rashba-Hubbard model on the square lattice is the paradigmatic case for studying the effect of spin-orbit coupling, which breaks spin and inversion symmetry, in a correlated electron system. We employ a truncated-unity variant of the functional renormalization group which allows us to analyze magnetic and superconducting instabilities on equal footing. We derive phase diagrams depending on the strengths of Rasbha spin-orbit coupling, real second-neighbor hopping and electron filling. We find commensurate and incommensurate magnetic phases which compete with d-wave superconductivity. Due to the breaking of inversion symmetry, singlet and triplet components mix; we quantify the mixing of d-wave singlet pairing with f-wave triplet pairing.

cond-mat.str-el↗

arXiv2022

Superconductivity of repulsive spinless fermions with sublattice potentials

We explore unconventional superconductivity of repulsive spinless fermions on square and honeycomb lattices with staggered sublattice potentials. The two lattices can exhibit staggered $d$-wave and $f$-wave pairing, respectively, at low doping stemming from an effective two-valley band structure. At higher doping, in particular, the square lattice displays a much richer phase diagram including topological $p+ip$ superconductivity which is induced by a qualitatively different mechanism compared to the $d$-wave pairing. We illuminate this from several complementary perspectives: We analytically perform sublattice projection to analyze the effective continuum low-energy description and we numerically calculate the binding energies for pair and larger bound states for few-body doping near half filling. Furthermore, for finite doping, we present phase diagrams based on extensive functional renormalization group and and density matrix renormalization group calculations.

cond-mat.supr-con↗

arXiv2022

Experimental observation of ABCB stacked tetralayer graphene

In tetralayer graphene, three inequivalent layer stackings should exist, however, only rhombohedral (ABCA) and Bernal (ABAB) stacking have so far been observed. The three stacking sequences differ in their electronic structure, with the elusive third stacking (ABCB) being unique as it is predicted to exhibit an intrinsic bandgap as well as locally flat bands around the K points. Here, we use scattering-type scanning near-field optical microscopy and confocal Raman microscopy to identify and characterize domains of ABCB stacked tetralayer graphene. We differentiate between the three stacking sequences by addressing characteristic interband contributions in the optical conductivity between 0.28 and 0.56 eV with amplitude and phase-resolved near-field nano-spectroscopy. By normalizing adjacent flakes to each other, we achieve good agreement between theory and experiment, allowing for the unambiguous assignment of ABCB domains in tetralayer graphene. These results establish near-field spectroscopy at the interband transitions as a semi-quantitative tool, enabling the recognition of ABCB domains in tetralyer graphene flakes and therefore, providing a basis to study correlation physics of this exciting phase.

cond-mat.mes-hall↗