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Antoine Georges

Publications and source records attributed to Antoine Georges.

At least 37 records · Page 2Linked to original sources

Expert Evaluation of LLM World Models: A High-$T_c$ Superconductivity Case Study

Large Language Models (LLMs) show great promise as a powerful tool for scientific literature exploration. However, their effectiveness in providing scientifically accurate and comprehensive answers to complex questions within specialized domains remains an active area of research. Using the field of high-temperature cuprates as an exemplar, we evaluate the ability of LLM systems to understand the literature at the level of an expert. We construct an expert-curated database of 1,726 scientific papers that covers the history of the field, and a set of 67 expert-formulated questions that probe deep understanding of the literature. We then evaluate six different LLM-based systems for answering these questions, including both commercially available closed models and a custom retrieval-augmented generation (RAG) system capable of retrieving images alongside text. Experts then evaluate the answers of these systems against a rubric that assesses balanced perspectives, factual comprehensiveness, succinctness, and evidentiary support. Among the six systems two using RAG on curated literature outperformed existing closed models across key metrics, particularly in providing comprehensive and well-supported answers. We discuss promising aspects of LLM performances as well as critical short-comings of all the models. The set of expert-formulated questions and the rubric will be valuable for assessing expert level performance of LLM based reasoning systems.

cond-mat.supr-con↗

Insulating transport in anisotropic metals: breakdown of Drude transport and the puzzling $c$-axis resistivity of Sr$_2$RuO$_4$ and other layered oxides

We reveal a mechanism that may explain the non-metallic out-of-plane resistivity in layered metals. By carefully examining how the Drude-Boltzmann expression for the $c$-axis conductivity emerges out of the Kubo formula, we find, besides the standard metallic term proportional to the carrier lifetime $τ$, a non-Drude contribution proportional to $1/τ$. The Drude behavior breaks down when $1/τ> 2 η^*$, the crossover value $η^*$ being small (and hence observable) when the $c$-axis velocities vary rapidly with the distance from the Fermi surface. We consider the Hund metal Sr$_2$RuO$_4$ as a test case, which we study within a realistic dynamical mean-field theory approach. The non-Drude behavior observed experimentally in $c$-axis transport is reproduced and explained by our considerations, showing that earlier invoked extrinsic mechanisms that involve either impurities or phonons are unnecessary. We point out that the small value of $η^*$ is due to a peculiar accidental cancellation due to destructive interference characteristic of body-centered tetragonal lattices.

cond-mat.str-el↗

Learning interactions between Rydberg atoms

Quantum simulators have the potential to solve quantum many-body problems that are beyond the reach of classical computers, especially when they feature long-range entanglement. To fulfill their prospects, quantum simulators must be fully controllable, allowing for precise tuning of the microscopic physical parameters that define their implementation. We consider Rydberg-atom arrays, a promising platform for quantum simulations. Experimental control of such arrays is limited by the imprecision on the optical tweezers positions when assembling the array, hence introducing uncertainties in the simulated Hamiltonian. In this work, we introduce a scalable approach to Hamiltonian learning using graph neural networks (GNNs). We employ the Density Matrix Renormalization Group (DMRG) to generate ground-state snapshots of the transverse field Ising model realized by the array, for many realizations of the Hamiltonian parameters. Correlation functions reconstructed from these snapshots serve as input data to carry out the training. We demonstrate that our GNN model has a remarkable capacity to extrapolate beyond its training domain, both regarding the size and the shape of the system, yielding an accurate determination of the Hamiltonian parameters with a minimal set of measurements. We prove a theorem establishing a bijective correspondence between the correlation functions and the interaction parameters in the Hamiltonian, which provides a theoretical foundation to our learning algorithm. Our work could open the road to feedback control of the positions of the optical tweezers, hence providing a decisive improvement of analog quantum simulators.

quant-ph↗

Neural Network-Augmented Pfaffian Wave-functions for Scalable Simulations of Interacting Fermions

Developing accurate numerical methods for strongly interacting fermions is crucial for improving our understanding of various quantum many-body phenomena, especially unconventional superconductivity. Recently, neural quantum states have emerged as a promising approach for studying correlated fermions, highlighted by the hidden fermion and backflow methods, which use neural networks to model corrections to fermionic quasiparticle orbitals. In this work, we expand these ideas to the space of Pfaffians, a wave-function that naturally expresses superconducting pairings, and propose the hidden fermion Pfaffian state (HFPS), which flexibly represents both unpaired and superconducting phases and scales to large systems with favorable asymptotic complexity. In our numerical experiments, HFPS provides state-of-the-art variational accuracy in different regimes of both the attractive and repulsive Hubbard models. We show that the HFPS is able to capture both s-wave and d-wave pairing, and therefore may be a useful tool for modeling phases with unconventional superconductivity.

cond-mat.str-el↗

LiV2O4: Hund-Assisted Orbital-Selective Mottness

We show that the remarkably small Fermi-liquid coherence scale and large effective mass observed in LiV$_2$O$_4$ are due to the proximity of a Hund-assisted orbital-selective Mott state. Our work is based on an ab initio dynamical mean-field approach, combining several quantum impurity solvers to capture the physics from high to very low temperature. We find that the Hund coupling plays a crucial role in rearranging the orbital populations and in generating the heavy mass and low coherence scale. The latter is found to be approximately 1-2 Kelvin, even though the most correlated orbital is found to be significantly doped ~10% away from half-filling. A flat quasiparticle band appears near the Fermi level as a result of the strong electronic correlations. Finally, we discuss our results in comparison to experiments.

cond-mat.str-el↗

Site-polarized Mott phases competing with a correlated metal in twisted WSe$_2$

Twisted WSe$_2$ hosts superconductivity, metal-insulator phase transitions, and field-controllable Fermi-liquid to non-Fermi-liquid transport properties. In this work, we use dynamical mean-field theory to provide a coherent understanding of the electronic correlations shaping the twisted WSe$_2$ phase diagram. We find a correlated metal competing with three distinct site-polarized correlated insulators; the competition is controlled by interlayer potential difference and interaction strength. The insulators are characterized by a strong differentiation between orbitals with respect to carrier concentration and effective correlation strength. Upon doping, a strong particle-hole asymmetry emerges, resulting from a Zaanen-Sawatzky-Allen-type charge-transfer mechanism. The associated charge-transfer physics and proximity to a van Hove singularity in the correlated metal sandwiched between two site-polarized insulators naturally explains the interlayer potential-driven metal-to-insulator transition, particle-hole asymmetry in transport, and the coherence-incoherence crossover in $3.65^\circ$ twisted WSe$_2$.

cond-mat.str-el↗

Respective Roles of Electron-Phonon and Electron-Electron Interactions in the Transport and Quasiparticle Properties of SrVO$_3$

The spectral and transport properties of strongly correlated metals, such as SrVO$_3$ (SVO), are widely attributed to electron-electron ($e$-$e$) interactions, with lattice vibrations (phonons) playing a secondary role. Here, using first-principles electron-phonon ($e$-ph) and dynamical mean field theory calculations, we show that $e$-ph interactions play an essential role in SVO: they govern the electron scattering and resistivity in a wide temperature range above 30 K, and induce an experimentally observed kink in the spectral function. In contrast, the $e$-$e$ interactions control quasiparticle renormalizations and low temperature transport, and enhance the $e$-ph coupling. We clarify the origin of the near $T^2$ temperature dependence of the resistivity by analyzing the $e$-$e$ and $e$-ph limited transport regimes. Our work disentangles the electronic and lattice degrees of freedom in a prototypical correlated metal, revealing the dominant role of $e$-ph interactions in SVO.

cond-mat.mtrl-sci↗

Hund flat band in a frustrated spinel oxide

Electronic flat bands associated with quenched kinetic energy and heavy electron mass have attracted great interest for promoting strong electronic correlations and emergent phenomena such as high-temperature charge fractionalization and superconductivity. Intense experimental and theoretical research has been devoted to establishing the rich non-trivial metallic and heavy fermion phases intertwined with such localized electronic states. Here, we investigate the transition metal oxide spinel LiV2O4, an enigmatic heavy fermion compound lacking localized f orbital states. We use angle-resolved photoemission spectroscopy and dynamical mean field theory to reveal a new kind of correlation-induced flat band with suppressed inter-atomic electron hopping arising from intra-atomic Hund coupling. The appearance of heavy quasiparticles is ascribed to a proximate orbital-selective Mott state characterized by fluctuating local moments as evidenced by complementary magnetotransport measurements. The spectroscopic fingerprints of long-lived quasiparticles and their disappearance with increasing temperature further support the emergence of a high-temperature bad metal state observed in transport data. This work resolves a long-standing puzzle on the origin of heavy fermion behavior and unconventional transport in LiV2O4. Simultaneously, it opens a new path to achieving flat bands through electronic interactions in d-orbital systems with geometrical frustration, potentially enabling the realization of exotic phases of matter such as the fractionalized Fermi liquids.

cond-mat.str-el↗

Enhanced Strange Metallicity due to Hubbard-U Coulomb Repulsion

We solve a model of electrons with Hubbard-$U$ Coulomb repulsion and a random Yukawa coupling to a two-dimensional bosonic bath, using an extended dynamical mean field theory scheme. Our model exhibits a quantum critical point, at which the repulsive component of the electron interactions strongly enhances the effects of the quantum critical bosonic fluctuations on the electrons, leading to a breakdown of Fermi liquid physics and the formation of a strange metal with `Planckian' ($\mathcal{O}(k_B T/\hbar)$) quasiparticle decay rates at low temperatures $T\rightarrow 0$. Furthermore, the eventual Mott transition that occurs as the repulsion is increased seemingly bounds the maximum decay rate in the strange metal. Our results provide insight into low-temperature strange metallicity observed in proximity to a Mott transition, as is observed, for instance, in recent experiments on certain moiré materials.

cond-mat.str-el↗

Energy filtering-induced ultrahigh thermoelectric power factors in Ni$_3$Ge

Traditional thermoelectric materials rely on low thermal conductivity to enhance their efficiency but suffer from inherently limited power factors. Novel pathways to optimize electronic transport are thus crucial. Here, we achieve ultrahigh power factors in Ni$_3$Ge through a new materials design principle. When overlapping flat and dispersive bands are engineered to the Fermi level, charge carriers can undergo intense interband scattering, yielding an energy filtering effect similar to what has long been predicted in certain nanostructured materials. Via a multi-step DFT-based screening method developed herein, we discover a new family of L1$_2$-ordered binary compounds with ultrahigh power factors up to 11 mW m$^{-1}$ K$^{-2}$ near room temperature, which are driven by an intrinsic phonon-mediated energy filtering mechanism. Our comprehensive experimental and theoretical study of these new intriguing materials paves the way for understanding and designing high-performance scattering-tuned metallic thermoelectrics.

cond-mat.mtrl-sci↗

Mott Transition and Volume Law Entanglement with Neural Quantum States

The interplay between delocalisation and repulsive interactions can cause electronic systems to undergo a Mott transition between a metal and an insulator. Here we use neural network hidden fermion determinantal states (HFDS) to uncover this transition in the disordered, fully-connected Hubbard model. Whilst dynamical mean-field theory (DMFT) provides exact solutions to physical observables of the model in the thermodynamic limit, our method allows us to directly access the wave function for finite system sizes well beyond the reach of exact diagonalisation. We demonstrate how HFDS are able to obtain more accurate results in the metallic regime and in the vicinity of the transition than calculations based on a Matrix Product State (MPS) ansatz, for which the volume law of entanglement exhibited by the system is prohibitive. We use the HFDS method to calculate the energy and double occupancy, the quasi-particle weight and the energy gap and, importantly, the amplitudes of the wave function which provide a novel insight into this model. Our work paves the way for the study of strongly correlated electron systems with neural quantum states.

cond-mat.str-el↗

Efficiency of neural quantum states in light of the quantum geometric tensor

Neural quantum state (NQS) ansätze have shown promise in variational Monte Carlo algorithms by their theoretical capability of representing any quantum state. However, the reason behind the practical improvement in their performance with an increase in the number of parameters is not fully understood. In this work, we systematically study the efficiency of a shallow neural network to represent the ground states in different phases of the spin-1 bilinear-biquadratic chain, as the number of parameters increases. We train our ansatz by a supervised learning procedure, minimizing the infidelity w.r.t. the exact ground state. We observe that the accuracy of our ansatz improves with the network width in most cases, and eventually saturates. We demonstrate that this can be explained by looking at the spectrum of the quantum geometric tensor (QGT), particularly its rank. By introducing an appropriate indicator, we establish that the QGT rank provides a useful diagnostic for the practical representation power of an NQS ansatz.

quant-ph↗

The Hund-metal path to strong electronic correlations

Atomic physics has a profound impact on the physical properties of correlated electron materials. This article describes a prime example of this phenomenon. We provide a non-technical introduction to the physics of Hund metals, a broad class of materials which include in particular iron pnictides and chalcogenides, as well as oxides of the 4d transition-metal series such as ruthenates. We highlight experiments which reveal distinctive signatures of Hund physics in selected materials. A key property of Hund metals is a clear separation between the energy and temperature scales associated with spin and orbital degrees of freedom. We emphasize the conceptual and practical importance of the non-perturbative renormalization group flow which identifies the relevant degrees of freedom at each energy scale. The flow begins with local atomic degrees of freedom at high energy, displays a universal behavior in the intermediate regime of spin-orbital separation and ends into a broad diversity of possible ordered phases. Ordering can take place either as an instability of the Fermi liquid regime with coherent quasiparticles or directly from the intermediate regime before Fermi liquid quasiparticles had a chance to emerge. Dynamical mean-field theory provides a natural conceptual framework as well as a powerful computational method to explain, calculate and predict many physical properties of correlated materials such as Hund metals. A copy-edited version of this article has been published (April, 2024) in Physics Today, 77(4), 46-53 (2024) \url{https://doi.org/10.1063/pt.wqrz.qpjx}

cond-mat.str-el↗

Speak so a physicist can understand you! TetrisCNN for detecting phase transitions and order parameters

Recently, neural networks (NNs) have become a powerful tool for detecting quantum phases of matter. Unfortunately, NNs are black boxes and only identify phases without elucidating their properties. Novel physics benefits most from insights about phases, traditionally extracted in spin systems using spin correlators. Here, we combine two approaches and design TetrisCNN, a convolutional NN with parallel branches using different kernels that detects the phases of spin systems and expresses their essential descriptors, called order parameters, in a symbolic form based on spin correlators. We demonstrate this on the example of snapshots of the one-dimensional transverse-field Ising model taken in various bases. We show also that TetrisCNN can detect more complex order parameters using the example of two-dimensional Ising gauge theory. This work can lead to the integration of NNs with quantum simulators to study new exotic phases of matter.

quant-ph↗

Variational Benchmarks for Quantum Many-Body Problems

The continued development of computational approaches to many-body ground-state problems in physics and chemistry calls for a consistent way to assess its overall progress. In this work, we introduce a metric of variational accuracy, the V-score, obtained from the variational energy and its variance. We provide an extensive curated dataset of variational calculations of many-body quantum systems, identifying cases where state-of-the-art numerical approaches show limited accuracy, and future algorithms or computational platforms, such as quantum computing, could provide improved accuracy. The V-score can be used as a metric to assess the progress of quantum variational methods toward a quantum advantage for ground-state problems, especially in regimes where classical verifiability is impossible.

quant-ph↗

Detector-tuned overlap catastrophe in quantum dots

The Anderson overlap catastrophe (AOC) is a many-body effect arising as a result of a shakeup of a Fermi sea due to an abrupt change of a local potential, leading to a power-law dependence of the density of states on energy. Here we demonstrate that a standard quantum-dot detector can be employed as a highly tuneable probe of the AOC, where the power law can be continuously modified by a gate voltage. We show that signatures of the AOC have already appeared in previous experiments, and give explicit predictions allowing to tune and pinpoint their non-perturbative aspects.

cond-mat.mes-hall↗

Exact numerical solution of the fully-connected classical and quantum Heisenberg spin glass

We present the mean field solution of the quantum and classical Heisenberg spin glasses, using the combination of a high precision numerical solution of the Parisi full replica symmetry breaking equations and a continuous time Quantum Monte Carlo. We characterize the spin glass order and its low-energy excitations down to zero temperature. The Heisenberg spin glass has a rougher energy landscape than its Ising analogue, and exhibits a very slow temperature evolution of its dynamical properties. We extend our analysis to the doped, metallic Heisenberg spin glass, which displays an unexpectedly slow spin dynamics reflecting the proximity to the melting quantum critical point and its associated Sachdev-Ye-Kitaev Planckian dynamics.

cond-mat.dis-nn↗

Dynamical correlations and order in magic-angle twisted bilayer graphene

In magic angle twisted bilayer graphene, transport, thermodynamic and spectroscopic experiments pinpoint at a competition between distinct low-energy states with and without electronic order. We use Dynamical Mean Field Theory (DMFT) on the topological heavy Fermion (THF) model of twisted bilayer graphene to investigate the emergence of electronic correlations and long-range order in the absence of strain. We contrast moment formation, Kondo screening and ordering on a temperature basis and explain the nature of emergent correlated states based on three central phenomena: (i) the formation of local spin and valley isospin moments around 100K, (ii) the ordering of the local isospin moments around 10K preempting Kondo screening, and (iii) a cascadic redistribution of charge between localized and delocalized electronic states upon doping. At integer fillings, we find that low energy spectral weight is depleted in the symmetric phase, while we find insulating states with gaps enhanced by exchange coupling in the zero-strain ordered phases. Doping away from integer filling results in distinct metallic states: a "bad metal" above the ordering temperature, where scattering off the disordered local moments suppresses electronic coherence, and a "good metal" in the ordered states with coherence of quasiparticles facilitated by isospin order. This finding reveals coherence from order as the microscopic mechanism behind the Pomeranchuk effect observed experimentally. Upon doping, there is a periodic charge reshuffling between localized and delocalized electronic orbitals leading to cascades of doping-induced Lifshitz transitions, local spectral weight redistributions and periodic variations of the electronic compressibility. Our findings provide a unified understanding of the most puzzling aspects of scanning tunneling spectroscopy, transport, and compressibility experiments.

cond-mat.str-el↗