2573 Publications

Uniaxial plasmon polaritons via charge transfer at the graphene/CrSBr interface

Graphene is a privileged 2D platform for hosting confined light-matter excitations known as surface plasmon-polaritons (SPPs), as it possesses low intrinsic losses with a high degree of optical confinement. However, the inherently isotropic optical properties of graphene limit its ability to guide and focus SPPs, making it less suitable than anisotropic elliptical and hyperbolic materials as a platform for polaritonic lensing and canalization. Here, we present the graphene/CrSBr heterostructure as an engineered 2D interface that hosts highly anisotropic SPP propagation over a wide range of frequencies in the mid-infrared and terahertz. Using a combination of scanning tunneling microscopy (STM), scattering-type scanning near-field optical microscopy (s-SNOM), and first-principles calculations, we demonstrate mutual doping in excess of 1013 cm−2 holes/electrons between the interfacial layers of graphene/CrSBr heterostructures. SPPs in graphene activated by charge transfer interact with charge-induced anisotropic intra- and interband transitions in the interfacial doped CrSBr, leading to preferential SPP propagation along the quasi-1D chains that compose each CrSBr layer. This multifaceted proximity effect both creates SPPs and endows them with anisotropic transport and propagation lengths that differ by an order-of-magnitude between the two in-plane crystallographic axes of CrSBr.
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Emergent polaronic correlations in doped spin liquids

The interplay between spin and charge degrees of freedom arising from doping a Mott insulating quantum spin liquid (QSL) has been a topic of research for several decades. Calculating properties of these fractionalized metallic states in single-band models are generally restricted to mean-field patron descriptions and small fluctuations around these states, which are insufficient for quantitative comparison of observables to measurements performed in strongly-correlated systems. In this work, we numerically study a class of correlated electronic wavefunctions which support fractionalized spin and charge excitations and which fully take into account gauge fluctuations through the enforcement of local Hilbert space constraints. By optimizing the energy of these wavefunctions against the hole-doped Fermi Hubbard Hamiltonian, we obtain a variational ansatz for describing the low-energy physics of this model. We compare measurements of hole-induced spin-spin correlation functions to measurements taken in low temperature cold-atom simulations of the Hubbard model and find quantitative agreement between the two. In particular, we demonstrate the emergence of magnetic polaron correlations in these metallic states.
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Fast Scrambling at the Boundary

Many-body systems which saturate the quantum bound on chaos are attracting interest across a wide range of fields. Notable examples include the Sachdev-Ye-Kitaev model and its variations, all characterised by some form or randomness and all to all couplings. Here we study many-body quantum chaos in a quantum impurity model showing Non-Fermi-Liquid physics, the overscreened multichannel SU(N) Kondo model. We compute exactly the low-temperature behavior of the out-of time order correlator in the limit of large N and large number of channels K, at fixed ratio γ=K/N. Due to strong correlations at the impurity site the spin fractionalizes in auxiliary fermions and bosons. We show that all the degrees of freedom of our theory acquire a Lyapunov exponent which is linear in temperature as T→0, with a prefactor that depends on γ. Remarkably, for N=K the impurity spin displays maximal chaos, while bosons and fermions only get up to half of the maximal Lyapunov exponent. Our results highlights two new features: a non-disordered model which is maximally chaotic due to strong correlations at its boundary and a fractionalization of quantum chaos.
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Re-anchoring Quantum Monte Carlo with Tensor-Train Sketching

We propose a novel algorithm for calculating the ground-state energy of quantum many-body systems by combining auxiliary-field quantum Monte Carlo (AFQMC) with tensor-train sketching. In AFQMC, having a good trial wavefunction to guide the random walk is crucial for avoiding sign problems. Typically, this trial wavefunction is fixed throughout the simulation. Our proposed method iterates between determining a new trial wavefunction in the form of a tensor train, derived from the current walkers, and using this updated trial wavefunction to anchor the next phase of AFQMC. Numerical results demonstrate that our algorithm is highly accurate for large spin systems, achieving a relative error of (10
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Chiral Floquet engineering on topological fermions in chiral crystals

The interplay of chiralities in light and quantum matter provides an opportunity to design and manipulate chirality-dependent properties in quantum materials. Herein we report the chirality-dependent Floquet engineering on topological fermions with the high Chern number in chiral crystal CoSi via circularly polarized light (CPL) pumping. Intense light pumping does not compromise the gapless nature of topological fermions in CoSi, but displaces the crossing points in momentum space along the direction of light propagation. The Floquet chirality index is proposed to signify the interplay between the chiralities of topological fermion, crystal, and incident light, which determines the amplitudes and directions of light-induced momentum shifts. Regarding the time-reversal symmetry breaking induced by the CPL pumping, momentum shifts of topological fermions result in the birth of transient anomalous Hall signals in non-magnetic CoSi within an ultrafast time scale, which Mid-infrared (IR) pumping and terahertz (THz) Kerr or Faraday probe spectroscopy could experimentally detect. Our findings provide insights into exploring novel applications in optoelectronic devices by leveraging the degree of freedom of chirality in the non-equilibrium regime.
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Two-dimensional heavy fermions in the van der Waals metal CeSiI

Heavy-fermion metals are prototype systems for observing emergent quantum phases driven by electronic interactions1,2,3,4,5,6. A long-standing aspiration is the dimensional reduction of these materials to exert control over their quantum phases7,8,9,10,11, which remains a significant challenge because traditional intermetallic heavy-fermion compounds have three-dimensional atomic and electronic structures. Here we report comprehensive thermodynamic and spectroscopic evidence of an antiferromagnetically ordered heavy-fermion ground state in CeSiI, an intermetallic comprising two-dimensional (2D) metallic sheets held together by weak interlayer van der Waals (vdW) interactions. Owing to its vdW nature, CeSiI has a quasi-2D electronic structure, and we can control its physical dimension through exfoliation. The emergence of coherent hybridization of f and conduction electrons at low temperature is supported by the temperature evolution of angle-resolved photoemission and scanning tunnelling spectra near the Fermi level and by heat capacity measurements. Electrical transport measurements on few-layer flakes reveal heavy-fermion behaviour and magnetic order down to the ultra-thin regime. Our work establishes CeSiI and related materials as a unique platform for studying dimensionally confined heavy fermions in bulk crystals and employing 2D device fabrication techniques and vdW heterostructures12 to manipulate the interplay between Kondo screening, magnetic order and proximity effects.
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2024

Re-entrant phase transitions induced by localization of zero-modes

Flaviano Morone, D. Sels

Common wisdom dictates that physical systems become less ordered when heated to higher temperature. However, several systems display the opposite phenomenon and move to a more ordered state upon heating, e.g. at low temperature piezoelectric quartz is paraelectric and it only becomes piezoelectric when heated to sufficiently high temperature. The presence, or better, the re-entrance of unordered phases at low temperature is more prevalent than one might think. Although specific models have been developed to understand the phenomenon in specific systems, a universal explanation is lacking. Here we propose a universal simple microscopic theory which predicts the existence of two critical temperatures in inhomogeneous systems, where the lower one marks the re-entrance into the less ordered phase. We show that the re-entrant phase transition is caused by disorder-induced spatial localization of the zero-mode on a finite, i.e. sub-extensive, region of the system. Specifically, this trapping of the zero-mode disconnects the fluctuations of the order parameter in distant regions of the system, thus triggering the loss of long-range order and the re-entrance into the disordered phase. This makes the phenomenon quite universal and robust to the underlying details of the model, and explains its ubiquitous observation.

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Tracking electron motion within and outside of Floquet bands from attosecond pulse trains in time-resolved ARPES

Floquet engineering has recently emerged as a technique for controlling material properties with light. Floquet phases can be probed with time- and angle-resolved photoelectron spectroscopy (Tr-ARPES), providing direct access to the laser-dressed electronic bands. Applications of Tr-ARPES to date focused on observing the Floquet-Bloch bands themselves, and their build-up and dephasing on sub-laser-cycle timescales. However, momentum and energy resolved sub-laser-cycle dynamics between Floquet bands have not been analyzed. Given that Floquet theory strictly applies in time-periodic conditions, the notion of resolving sub-laser-cycle dynamics between Floquet states seems contradictory-it requires probe pulse durations below a laser cycle that inherently cannot discern the time-periodic nature of the light-matter system. Here we propose to employ attosecond pulse train probes with the same temporal periodicity as the Floquet-dressing pump pulse, allowing both attosecond sub-laser-cycle resolution and a proper projection of Tr-ARPES spectra on the Floquet-Bloch bands. We formulate and employ this approach inab-initiocalculations in light-driven graphene. Our calculations predict significant sub-laser-cycle dynamics occurring within the Floquet phase with the majority of electrons moving within and in-between Floquet bands, and a small portion residing and moving outside of them in what we denote as 'non-Floquet' bands. We establish that non-Floquet bands arise from the pump laser envelope that induces non-adiabatic electronic excitations during the pulse turn-on and turn-off. By performing calculations in systems with poly-chromatic pumps we also show that Floquet states are not formed on a sub-laser-cycle level. This work indicates that the Floquet-Bloch states are generally not a complete basis set for sub-laser-cycle dynamics in steady-state phases of matter.
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2024

MatsubaraFunctions.jl: An equilibrium Green’s function library in the Julia programming language

The Matsubara Green's function formalism stands as a powerful technique for computing the thermodynamic characteristics of interacting quantum many-particle systems at finite temperatures. In this manuscript, our focus centers on introducing MatsubaraFunctions.jl, a Julia library that implements data structures for generalized n-point Green's functions on Matsubara frequency grids. The package's architecture prioritizes user-friendliness without compromising the development of efficient solvers for quantum field theories in equilibrium. Following a comprehensive introduction of the fundamental types, we delve into a thorough examination of key facets of the interface. This encompasses avenues for accessing Green's functions, techniques for extrapolation and interpolation, as well as the incorporation of symmetries and a variety of parallelization strategies. Examples of increasing complexity serve to demonstrate the practical utility of the library, supplemented by discussions on strategies for sidestepping impediments to optimal performance.
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High temperature melting of dense molecular hydrogen from machine-learning interatomic potentials trained on quantum Monte Carlo

We present results and discuss methods for computing the melting temperature of dense molecular hydrogen using a machine learned model trained on quantum Monte Carlo data. In this newly trained model, we emphasize the importance of accurate total energies in the training. We integrate a two phase method for estimating the melting temperature with estimates from the Clausius-Clapeyron relation to provide a more accurate melting curve from the model. We make detailed predictions of the melting temperature, solid and liquid volumes, latent heat and internal energy from 50 GPa to 180 GPa for both classical hydrogen and quantum hydrogen. At pressures of roughly 173 GPa and 1635K, we observe molecular dissociation in the liquid phase. We compare with previous simulations and experimental measurements.
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