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At least 91 records · Page 5

Machine learning of Kondo physics using variational autoencoders and symbolic regression

In this work, we employ variational autoencoders to extract physical insight from a dataset of one-particle Anderson impurity model spectral functions. Autoencoders are trained to find a low-dimensional, latent space representation that faithfully characterizes each element of the training set, as measured by a reconstruction error. Variational autoencoders, a probabilistic generalization of standard autoencoders, further condition the learned latent space to promote highly interpretable features. In our study, we find that the learned latent variables strongly correlate with well known, but nontrivial, parameters that characterize emergent behaviors in the Anderson impurity model. In particular, one latent variable correlates with particle-hole asymmetry, while another is in near one-to-one correspondence with the Kondo temperature, a dynamically generated low-energy scale in the impurity model. Using symbolic regression, we model this variable as a function of the known bare physical input parameters and "rediscover" the nonperturbative formula for the Kondo temperature. The machine learning pipeline we develop suggests a general purpose approach, which opens opportunities to discover new domain knowledge in other physical systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evidence for a spinon Kondo effect in cobalt atoms on single-layer 1T-TaSe 2

Quantum spin liquids are highly entangled, disordered magnetic states that are expected to arise in frustrated Mott insulators and to exhibit exotic fractional excitations such as spinons and chargons. Despite being electrical insulators, some quantum spin liquids are predicted to exhibit gapless itinerant spinons that yield metallic behaviour in the charge-neutral spin channel. For this study, we deposited isolated magnetic atoms onto single-layer 1T-TaSe 2 , a candidate gapless spin liquid, to probe how itinerant spinons couple to impurity spin centres. Using scanning tunnelling spectroscopy, we observe the emergence of new, impurity-induced resonance peaks at the 1T-TaSe 2 Hubbard band edges when cobalt adatoms are positioned to have maximal spatial overlap with the local charge distribution. These resonance peaks disappear when the spatial overlap is reduced or when the magnetic impurities are replaced with nonmagnetic impurities. Theoretical simulations of a modified Anderson impurity model show that the observed peaks are consistent with a Kondo resonance induced by spinons combined with spin-charge binding effects that arise due to fluctuations of an emergent gauge field.

36 MATERIALS SCIENCE↗

Emergent flat band and topological Kondo semimetal driven by orbital-selective correlations

Flat electronic bands are expected to show proportionally enhanced electron correlations, which may generate a plethora of novel quantum phases and unusual low-energy excitations. They are increasingly being pursued in d-electron-based systems with crystalline lattices that feature destructive electronic interference, where they are often topological. Such flat bands, though, are generically located far away from the Fermi energy, which limits their capacity to partake in the low-energy physics. Here we show that electron correlations produce emergent flat bands that are pinned to the Fermi energy. We demonstrate this effect within a Hubbard model, in the regime described by Wannier orbitals where an effective Kondo description arises through orbital-selective Mott correlations. Moreover, the correlation effect cooperates with symmetry constraints to produce a topological Kondo semimetal. Our results motivate a novel design principle for Weyl Kondo semimetals in a new setting, viz.d-electron-based materials on suitable crystal lattices, and uncover interconnections among seemingly disparate systems that may inspire fresh understandings and realizations of correlated topological effects in quantum materials and beyond.

74 ATOMIC AND MOLECULAR PHYSICS↗

Transport in magnetically doped one-dimensional wires: can the helical protection emerge without the global helicity?

We study the phase diagram and transport properties of arbitrarily doped quantum wires functionalized by magnetic adatoms. The appropriate theoretical model for these systems is a dense one-dimensional Kondo lattice (KL) which consists of itinerant electrons interacting with localized quantum magnetic moments. We discover the novel phase of the locally helical metal where transport is protected from a destructive influence of material imperfections. Paradoxically, such a protection emerges without a need of the global helicity, which is inherent in all previously studied helical systems and requires breaking the spin-rotation symmetry. We explain the physics of this protection of the new type, find conditions, under which it emerges, and discuss possible experimental tests. Our results pave the way to the straightforward realization of the protected ballistic transport in quantum wires made of various materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Metallic surface states in a correlated d-electron topological Kondo insulator candidate FeSb 2

The resistance of a conventional insulator diverges as temperature approaches zero. The peculiar low-temperature resistivity saturation in the 4f Kondo insulator (KI) SmB 6 has spurred proposals of a correlation-driven topological Kondo insulator (TKI) with exotic ground states. However, the scarcity of model TKI material families leaves difficulties in disentangling key ingredients from irrelevant details. Here we use angle-resolved photoemission spectroscopy (ARPES) to study FeSb 2 , a correlated d-electron KI candidate that also exhibits a low-temperature resistivity saturation. On the (010) surface, we find a rich assemblage of metallic states with two-dimensional dispersion. Measurements of the bulk band structure reveal band renormalization, a large temperature-dependent band shift, and flat spectral features along certain high-symmetry directions, providing spectroscopic evidence for strong correlations. Our observations suggest that exotic insulating states resembling those in SmB 6 and YbB 12 may also exist in systems with d instead of f electrons.

36 MATERIALS SCIENCE↗

Many-Body Resonance in a Correlated Topological Kagome Antiferromagnet

We use scanning tunneling microscopy to elucidate the atomically resolved electronic structure in the strongly correlated kagome Weyl antiferromagnet Mn 3 Sn. In stark contrast to its broad single-particle electronic structure, we observe a pronounced resonance with a Fano line shape at the Fermi level resembling the many-body Kondo resonance. We find that this resonance does not arise from the step edges or atomic impurities but the intrinsic kagome lattice. Moreover, the resonance is robust against the perturbation of a vector magnetic field, but broadens substantially with increasing temperature, signaling strongly interacting physics. We show that this resonance can be understood as the result of geometrical frustration and strong correlation based on the kagome lattice Hubbard model. Our results point to the emergent many-body resonance behavior in a topological kagome magnet.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Enhanced Pair-Density-Wave Vertices in a Bilayer Hubbard Model at Half Filling

Motivated by the pair-density-wave (PDW) state found in the one-dimensional Kondo-Heisenberg chain, we report on a determinant quantum Monte Carlo study of pair fields for a two-dimensional half-filled Hubbard layer coupled to an itinerant, noninteracting layer with one electron per site. In a specific range of interlayer hopping, the pairing vertex associated with PDW order becomes more attractive than that for uniform d-wave pairing, although both remain subdominant to the leading antiferromagnetic correlations at half filling. In conclusion, our result sheds light on where one potentially may find a PDW state in such a model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Gutzwiller hybrid quantum-classical computing approach for correlated materials

Rapid progress in noisy intermediate-scale quantum (NISQ) computing technology has led to the development of novel resource-efficient hybrid quantum-classical algorithms, such as the variational quantum eigensolver (VQE), that can address open challenges in quantum chemistry, physics, and material science. Proof-of-principle quantum chemistry simulations for small molecules have been demonstrated on NISQ devices. While several approaches have been theoretically proposed for correlated materials, NISQ simulations of interacting periodic models on current quantum devices have not yet been demonstrated. Here, we develop a hybrid quantum-classical simulation framework for correlated electron systems based on the Gutzwiller variational embedding approach. We implement this framework on Rigetti quantum processing units (QPUs) and apply it to the periodic Anderson model, which describes a correlated heavy electron band hybridizing with noninteracting conduction electrons. Our simulation results quantitatively reproduce the known ground state quantum phase diagram including metallic, Kondo and Mott insulating phases. This is the first fully self-consistent hybrid quantum-classical simulation of an infinite correlated lattice model executed on QPUs, demonstrating that the Gutzwiller hybrid quantum-classical embedding framework is a powerful approach to simulate correlated materials on NISQ hardware. This benchmark study also puts forth a concrete pathway towards practical quantum advantage on NISQ devices.

36 MATERIALS SCIENCE↗

Isotropic Pauli-limited superconductivity in the infinite-layer nickelate Nd 0.775 Sr 0.225 NiO 2

The recent observation of superconductivity in thin-film infinite-layer nickelates offers a different angle from which to investigate superconductivity in layered oxides. A wide range of candidate models have been proposed, which emphasize single- or multi-orbital electronic structure, Kondo or Hund’s coupling and analogies to cuprates. Further experimental characterization of the superconducting state is needed to develop a full understanding of the nickelates. Here we use magnetotransport measurements to probe the superconducting anisotropy in Nd 0.775 Sr 0.225 NiO 2 . Here, we find that the upper critical field is surprisingly isotropic at low temperatures despite the layered crystal structure. In a magnetic field, the superconductivity is strongly Pauli-limited, such that the paramagnetic effect dominates over orbital de-pairing. Underlying this isotropic response is a substantial anisotropy in the superconducting coherence length, which is at least four times longer in-plane than out-of-plane. A prominent low-temperature upturn in the upper critical field indicates the presence of an unconventional ground state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Protected helical transport in magnetically doped quantum wires: Beyond the one-dimensional paradigm

One-dimensional (1D) quantum wires, which are functionalized by magnetic ad-atoms, can host ballistic helical transport. Helicity protects transport from an undesirable influence of material imperfections and makes the magnetically doped wire very promising elements for nanoelectronics and spintronics. However, fabricating purely 1D conductors is experimentally very challenging and not always feasible. In this paper, we show that the protected helical transport can exist even inquasi-1D wires. We model the quasi-1D magnetically doped wire as two coupled dense 1D Kondo chains. Each chain consists of itinerant electrons interacting with localized quantum magnetic moments - Kondo impurities. We have analyzed the regimes of weak-, intermediate- and strong inter-chain coupling and found conditions necessary for the origin of the aforementioned protected transport. Our results give a push for experimental realizations of the helical states in magnetically doped wires.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Kondo enabled transmutation between spinons and superconducting vortices: Origin of magnetic memory in 4 H b − TaS 2

Recent experiments [Persky , ] demonstrate a magnetic memory effect in 4 H b − TaS 2 above its superconducting transition temperature, where Abriokosov vortices are spontaneously generated by lowering the temperature at zero magnetic field after field training the normal state. Motivated by the experiment, we propose the chiral quantum spin liquid (QSL) stabilized in the constituent layers of 4 H b − TaS 2 as a mechanism. We model 4 H b − TaS 2 as coupled layers of the chiral QSL and the superconductor. Through the Kondo coupling between the localized moments and conduction electrons, there is mutual transmutation between spinons and vortices during the thermal-cycling process, which yields the magnetic memory effect observed in experiments. We also propose a mechanism to stabilize chiral and nematic superconductivity in 4 H b − TaS 2 through the Kondo coupling of conduction electrons to the chiral QSL. Our picture suggests 4 H b − TaS 2 as an exciting platform to explore the interplay between QSL and superconductivity through the Kondo effect. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Derivation of low-energy Hamiltonians for heavy-fermion materials

Here, by utilizing a multiorbital periodic Anderson model with parameters obtained from ab initio band structure calculations, combined with degenerate perturbation theory, we derive effective Kondo-Heisenberg and spin Hamiltonians that capture the interaction among the effective magnetic moments. This derivation encompasses fluctuations via both nonmagnetic 4⁢𝑓 0 and magnetic 4⁢𝑓 2 virtual states, and its accuracy is confirmed through comparison with experimental data obtained from CeIn 3 . The significant agreement observed between experimental results and theoretical predictions underscores the potential of deriving minimal models from first-principles calculations for achieving a quantitative description of 4⁢𝑓 materials. Moreover, our microscopic derivation unveils the underlying origin of anisotropy in the exchange interaction between Kramers doublets, shedding light on the conditions under which this anisotropy may be weak compared to the isotropic contribution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Spectroscopic Evidence of Kondo-Induced Quasiquartet in CeRh 2 As 2

CeRh 2 As 2 is a new multiphase superconductor with strong suggestions for an additional itinerant multipolar ordered phase. The modeling of the low-temperature properties of this heavy-fermion compound requires a quartet Ce 3 + crystal-field ground state. Here, we provide the evidence for the formation of such a quartet state using x-ray spectroscopy. Core-level photoelectron and x-ray absorption spectroscopy confirm the presence of Kondo hybridization in CeRh 2 As 2 . The temperature dependence of the linear dichroism unambiguously reveals the impact of Kondo physics for coupling the Kramer’s doublets into an effective quasiquartet. Nonresonant inelastic x-ray scattering data find that the | Γ 7 − ⟩ state with its lobes along the 110 direction of the tetragonal structure ( x y orientation) contributes most to the multiorbital ground state of CeRh 2 As 2 . Published by the American Physical Society 2024

Christovam, Denise S. (ORCID:0000000250698107)↗

Predicting impurity spectral functions using machine learning

The Anderson Impurity Model (AIM) is a canonical model of quantum many-body physics. Here we investigate whether machine learning models, both neural networks (NN) and kernel ridge regression (KRR), can accurately predict the AIM spectral function in all of its regimes, from empty orbital, to mixed valence, to Kondo. To tackle this question, we construct two large spectral databases containing approximately 410 000 and 600 000 spectral functions of the single-channel impurity problem. We show that the NN models can accurately predict the AIM spectral function in all of its regimes, with pointwise mean absolute errors down to 0.003 in normalized units. We find that the trained NN models outperform models based on KRR and enjoy a speedup on the order of 10 5 over traditional AIM solvers. Finally, the required size of the training set of our model can be significantly reduced using farthest point sampling in the AIM parameter space, which is important for generalizing our method to more complicated multichannel impurity problems of relevance to predicting the properties of real materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Controlling crystal-electric field levels through symmetry-breaking uniaxial pressure in a cubic super heavy fermion

Abstract YbPtBi is one of the heavy-fermion systems with largest Sommerfeld coefficient γ and is thus classified as a ‘super’-heavy fermion material. In this work, we resolve the long-debated question about the hierarchy of relevant energy scales, such as crystal-electric field (CEF) levels, Kondo and magnetic ordering temperature, in YbPtBi. Through measurements of the a.c. elastocaloric effect and generic symmetry arguments, we identify an elastic level splitting that is unambiguously associated with the symmetry-allowed splitting of a quartet CEF level. This quartet, which we identify to be the first excited state at Δ/ k B ≈ 1.6 K above the doublet ground state at ambient pressure, is well below the proposed Kondo temperature T K ≈ 10 K. Consequently, this analysis of the energy scheme can provide support models that predict that the heavy electron mass is a result of an enhanced degeneracy of the CEF ground state, i.e., a quasi-sextet in YbPtBi. At the same time, our study shows the potential of the a.c. elastocaloric effect to control and quantify strain-induced changes of the CEF schemes, opening a different route to disentangle the CEF energy scales from other relevant energy scales in correlated quantum materials.

36 MATERIALS SCIENCE↗

Oscillate and renormalize: Fast phonons reshape the Kondo effect in flat-band systems

Here, we examine the interplay between electron correlations and phonons in an Anderson-Holstein impurity model with an Einstein phonon. When the phonons are slow compared to charge fluctuations (frequency 𝜔 0 ≪ 𝑈/2, the onsite Coulomb scale 𝑈/2), we demonstrate analytically that the expected phonon-mediated reduction of interactions is completely suppressed, even in the strong-coupling regime. This suppression arises from the oscillator's inability to respond to rapid charge fluctuations, manifested as a compensation effect between the polaronic cloud and the excited-state phonons associated with valence fluctuations. We identify a frozen mixed valence phase, above a threshold dimensionless electron-phonon coupling 𝛼* when the phonons are slow, where the static phonon cloud locks the impurity into specific valence configurations, potentially explaining the puzzling coexistence of mixed valence behavior and insulating properties in materials like rust. Conversely, when the phonon is fast (𝜔 0 ≳ 𝑈/2), the system exhibits conventional polaronic behavior with renormalized onsite interactions effectively 𝑈 eff due to phonon-mediated attraction, with additional satellite features in the local spectral function due to phonon excitations. Using numerical renormalization group calculations, a fully dynamic renormalization technique, we confirm these behaviors in both regimes. These findings have important implications for strongly correlated systems where phonon energy scales may be comparable to the Coulomb scale, such as in twisted bilayer graphene, necessitating careful consideration of interaction renormalizations in theoretical models.

Anderson impurity model↗

Quantum Monte Carlo Method in the Steady State

We present a numerically exact steady-state inchworm Monte Carlo method for nonequilibrium quantum impurity models. Rather than propagating an initial state to long times, the method is directly formulated in the steady state. This eliminates any need to traverse the transient dynamics and grants access to a much larger range of parameter regimes at vastly reduced computational costs. We benchmark the method on equilibrium Green’s functions of quantum dots in the noninteracting limit and in the unitary limit of the Kondo regime. We then consider correlated materials described with dynamical mean field theory and driven away from equilibrium by a bias voltage. We show that the response of a correlated material to a bias voltage differs qualitatively from the splitting of the Kondo resonance observed in bias-driven quantum dots.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Mapping out the emergence of topological features in the highly alloyed topological Kondo insulators Sm 1-$x$ M $x$ B 6 ( M =Eu, Ce)

SmB 6 is a strongly correlated material that has been attributed as a topological insulator and a Kondo insulator. Recent studies have found the topological surface states and low temperature insulating character to be profoundly robust against magnetic and nonmagnetic impurities. Here, we use angle resolved photoemission spectroscopy to chart the evolution of topologically linked electronic structure features versus magnetic doping and temperature in Sm 1-$x$ M $x$ B 6 ( M =Eu, Ce). Topological coherence phenomena are observed out to ~30% Eu and 50% Ce concentrations that represent extreme nominal hole and electron doping, respectively. Finally, theoretical analysis reveals that a recent redesignation of the topologically inverted band symmetries provides a natural route to reconciling the persistence of topological surface state emergence even as the insulating gap is lost through decoherence.

36 MATERIALS SCIENCE↗