Many-body Interactions Research Articles

Non-Hermitian Skin Effect in Many-Body Thermophotonics.

The tight-binding model, foundational in depicting electronic behaviors in solid-state physics, has recently contributed to the understanding of non-Hermitian skin effects in optics, acoustics, and mechanics. However, tight-binding model is primarily built upon scalar nearest couplings, which in turn does not fit to describe the vectorial long-range interactions inherently in thermophotonics. Here, we report a strategy involving many-body radiative interactions in a two-dimensional thermophotonic lattice, and further reveal two types of orthogonal non-Hermitian skin modes in a reciprocal system. For in-plane modes, a pronounced geometry-dependent skin effect manifests at the edges, while for out-of-plane modes, skin effects induced by many-body interactions emerge at the corners instead. Our work provides a pioneering approach for understanding many-body-driven skin effect and unveils a mechanism for unexpected manipulation in thermophotonics.

Exciton-Exciton Interaction in Monolayer MoSe2 from Mutual Screening of Coulomb Binding.

Excitons in two-dimensional (2D) semiconductors are particularly exciting, as reduced screening and dimensional confinement foster their pronounced many-body interactions. Optical pumping is typically used to create excitons so as to study their properties, but at the same time such pumping can also create unbound charge carriers. This makes experimental determination of the exciton-exciton interactions difficult. Most importantly, the two effects of band gap renormalization and Coulomb screening on the individual exciton resonance energy counteract each other. Here by comparing the influences of exciton and electron density on the exciton ground and excited states energies of monolayer MoSe2 using photoluminescence spectroscopy, we are able to distinctly identify the screening of Coulomb binding by the neutral excitons and by charge carriers. The energy difference between exciton ground state (A-1s) and excited state (A-2s) red-shifts by 5.5 meV when the neutral exciton density increases from 0 to 4 × 1011 cm-2, in contrast to the blue shifts with the increase of either electron or hole density. This energy difference change is attributed to the mutual screening of Coulomb binding of neutral excitons, a many-body effect that is over 5 times magnitude stronger than the conventional estimate of exciton-exciton interactions. From this mutual Coulomb screening we extract an exciton polarizability of α2Dexciton = 2.5 × 10-17 eV(m/V)2. Our finding uncovers a mechanism that dominates the repulsive part of many-body interaction between neutral excitons.

Infinitely rugged intra-cage potential energy landscape in metallic glasses caused by many-body interaction

The absence of translational symmetry in glassy materials poses a significant challenge in establishing effective structure-property relationships in real space. Consequently, the potential energy landscape (PEL) in phase space is widely utilized to comprehend the complex phenomena in glasses. The classical PEL features a two-scale profile comprising mega-basins and sub-basins, corresponding to α-relaxations (e.g. glass transition) and β-relaxations (e.g. local cage-breaking atomic rearrangements), respectively. Recent studies, however, reveal that sub-basins are not smooth and contain finer structures, the origins of which remain elusive. Here we probe the smoothness of sub-basin bottoms in glasses' PEL by introducing small intra-cage cyclic loading and then measuring the net changes in atomic-level stresses. Compared to glasses with pair interaction, glasses with many-body interaction exhibit orders-of-magnitude larger and loading-dependent stress changes even before the first cage-breaking event takes place, which reflect much more feature-rich sub-basins. We further demonstrate this stark contrast stems from the spatial distribution of individual atom's constraining force field. Specifically, at vanishing perturbations, many-body interactions disrupt the positive-definite synchrony in energy variations of the perturbed atom and the whole system, causing inherently less confined atomic responses and infinitely rugged sub-basins. The implications of these findings for the selective addition or removal of fine structures in the PEL and the subsequent tuning of glassy materials' responses to external stimuli are also explored.

Neural network-assisted model of interfacial fluids with explicit coarse-grained molecular structures.

Interfacial fluids are ubiquitous in systems ranging from biological membranes to chemical droplets and exhibit a complex behavior due to their nonlinear, multiphase, and multicomponent nature. The development of accurate coarse-grained (CG) models for such systems poses significant challenges, as these models must effectively capture the intricate many-body interactions, both inter- and intramolecular, arising from atomic-level phenomena, and account for the diverse density distributions and fluctuations at the interface. In this study, we use advanced machine learning techniques incorporating force matching and diffusion probabilistic models to construct a robust CG model of interfacial fluids. We evaluate our model through simulations in various settings, including the water-air interface, bulk decane, and dipalmitoylphosphatidylcholine monolayer membranes. Our results show that our CG model accurately reproduces the essential many-body and interfacial properties of interfacial fluids and proves effective across different CG mapping strategies. This work not only validates the utility of our model for multiscale simulations, but also lays the groundwork for future improvements in the simulation of complex interfacial systems.

Interacting Floquet topological magnons in laser-irradiated Heisenberg honeycomb ferromagnets

Upon irradiation with high-frequency circularly polarized light, the Heisenberg spin system on a honeycomb lattice develops a next-nearest neighbor Dzyaloshinskii-Moriya interaction (DMI) term, transforming it into a magnonic Floquet topological insulator with intriguing physical properties. In this context, we investigate the many-body interaction effects of Floquet magnons in a laser-irradiated Heisenberg honeycomb ferromagnet featuring DMI under circularly polarized off-resonant light illumination. Our analysis employs the magnon Floquet-Bloch theory and Green's function method. We demonstrate that quantum ferromagnet systems driven periodically by lasers exhibit temperature-driven topological phase transitions due to Floquet magnon-magnon interactions, transitions that are absent when such interactions are neglected. Furthermore, we observe that the critical temperature necessary for reversing the sign of the topological phase gradually increases with elevated light intensity. This study introduces a novel approach to constructing Floquet topological phases in periodically driven quantum magnet systems.

Divergence of thermalization rates driven by the competition between finite temperature and quantum coherence

The thermalization of an isolated quantum system is described by quantum mechanics and thermodynamics, while these two subjects are still not fully consistent with each other. This leaves a less-explored region where both quantum and thermal effects cannot be neglected, and the ultracold-atom platform provides a suitable and versatile testbed to experimentally investigate these complex phenomena. Here we perform experiments based on ultracold atoms in optical lattices and observe a divergence of thermalization rates of quantum matters when the temperature approaches zero. By ramping an external parameter in the Hamiltonian, we observe the time delay between the internal relaxation and the external ramping. This provides us with a direct comparison of the thermalization rates of different quantum phases. We find that the quantum coherence and bosonic stimulation of superfluid induces the divergence while the finite temperature and the many-body interactions are suppressing the divergence. The quantum coherence and the thermal effects are competing with each other in this isolated thermal quantum system, which leads to the transition of thermalization rate from divergence to convergence.

Fate of surface gaps in magnetic topological insulators

Abstract In magnetic topological insulators, the surface states can exhibit a gap due to the breaking of time-reversal symmetry. Various experiments, while suggesting the existence of the surface gap, have raised questions about its underlying mechanism in the presence of different magnetic orderings. Here, we demonstrate that magnon-mediated electron-electron interactions, whose effects are not limited to the surfaces perpendicular to the magnetic ordering, can significantly influence surface states and their effective gaps. On the surfaces perpendicular to the spin quantization axis, many-body interactions can enhance the band gap to a degree that surpasses the non-interacting scenario. Then, on surfaces parallel to the magnetic ordering, we find that strong magnon-induced fermionic interactions can lead to features resembling a massless-like gap. These remarkable results largely stem from the fact that magnon-mediated interactions exhibit considerable long-range behavior compared to direct Coulomb interactions among electrons, thereby dominating the many-body properties at the surface of magnetic topological insulators.

Current Status of the MB-pol Data-Driven Many-Body Potential for Predictive Simulations of Water Across Different Phases.

Developing a molecular-level understanding of the properties of water is central to numerous scientific and technological applications. However, accurately modeling water through computer simulations has been a significant challenge due to the complex nature of the hydrogen-bonding network that water molecules form under different thermodynamic conditions. This complexity has led to over five decades of research and many modeling attempts. The introduction of the MB-pol data-driven many-body potential energy function marked a significant advancement toward a universal molecular model capable of predicting the structural, thermodynamic, dynamical, and spectroscopic properties of water across all phases. By integrating physics-based and data-driven (i.e., machine-learned) components, which correctly capture the delicate balance among different many-body interactions, MB-pol achieves chemical and spectroscopic accuracy, enabling realistic molecular simulations of water, from gas-phase clusters to liquid water and ice. In this review, we present a comprehensive overview of the data-driven many-body formalism adopted by MB-pol, highlight the main results and predictions made from computer simulations with MB-pol to date, and discuss the prospects for future extensions to data-driven many-body potentials of generic and reactive molecular systems.

Strongly Enhanced Electronic Bandstructure Renormalization by Light in Nanoscale Strained Regions of Monolayer MoS2/Au(111) Heterostructures.

Understanding and controlling the photoexcited quasiparticle (QP) dynamics in monolayer (ML) transition metal dichalcogenides (TMDs) lays the foundation for exploring the strongly interacting, nonequilibrium two-dimensional (2D) QP and polaritonic states in these quantum materials and for harnessing the properties emerging from these states for optoelectronic applications. In this study, scanning tunneling microscopy/spectroscopy (STM/scanning tunneling spectroscopy) with light illumination at the tunneling junction is performed to investigate the QP dynamics in ML MoS2 on an Au(111) substrate with nanoscale corrugations. The corrugations on the surface of the substrate induce nanoscale local strain in the overlaying ML MoS2 single crystal, which result in energetically favorable spatial regions where photoexcited QPs, including excitons, trions, and electron-hole plasmas, accumulate. These strained regions exhibit pronounced electronic bandstructure renormalization as a function of the photoexcitation wavelength and intensity as well as the strain gradient, implying strong interplay among nanoscale structures, strain, and photoexcited QPs. In conjunction with the experimental work, we construct a theoretical framework that integrates nonuniform nanoscale strain into the electronic bandstructure of a ML MoS2 lattice using a tight-binding approach combined with first-principle calculations. This methodology enables better understanding of the experimental observation of photoexcited QP localization in the nanoscale strain-modulated electronic bandstructure landscape. Our findings illustrate the feasibility of utilizing nanoscale architectures and optical excitations to manipulate the local electronic bandstructure of ML TMDs and to enhance the many-body interactions of excitons, which is promising for the development of nanoscale energy-adjustable optoelectronic and photonic technologies, including quantum emitters and solid-state quantum simulators for interacting exciton polaritons based on engineered periodic nanoscale trapping potentials.

Modeling Many-Body Interactions in Water with Gaussian Process Regression.

We report a first-principles water dimer potential that captures many-body interactions through Gaussian process regression (GPR). Modeling is upgraded from previous work by using a custom kernel function implemented through the KeOps library, allowing for much larger GPR models to be constructed and interfaced with the next-generation machine learning force field FFLUX. A new synthetic water dimer data set, called WD24, is used for model training. The resulting models can predict 90% of dimer geometries within chemical accuracy for a test set and in a simulation. The curvature of the potential energy surface is captured by the models, and a successful geometry optimization is completed with a total energy error of just 2.6 kJ mol-1, from a starting structure where water molecules are separated by nearly 4.3 Å. Dimeric modeling of a flexible, noncrystalline system with FFLUX is shown for the first time.

Phonon-Coupled High-Harmonic Generation for Exploring Nonadiabatic Electron-Phonon Interactions.

High harmonic generation (HHG) have received significant attention for the exploration of material properties and ultrafast dynamics. However, the lack of consideration for couplings between HHG and other quasiparticles, such as phonons, has been impeding the understanding of many-body interactions in HHG. Here, we reveal the many-body electron-phonon mechanism in the quasiparticle-coupled strong-field dynamics by investigating the nonadiabatic (NA) coherent-phonon-coupled HHG. Coherent phonons are revealed to effectively affect HHG via the adiabatic band modulation induced by phonon deformation effects and the NA and nonequilibrium distribution of photocarriers in multiple valleys. The adiabatic and NA mechanisms leave their fingerprint via influencing the phonon period and phase delay in the oscillation of HHG intensity, both of which are experimentally measurable. Investigation of these quantities enables the direct probing of the electron-phonon interaction in materials.

Multibody interactions between protein inclusions in the pointlike curvature model for tense and tensionless membranes.

The pointlike curvature constraint (PCC) model and the disk detachment angle (DDA) model for the deformation-mediated interaction of conical integral protein inclusions in biomembranes are compared in the small deformation regime. Given the radius of membrane proteins, which is comparable to the membrane thickness, it is not obvious which of the two models should be considered the most adequate. For two proteins in a tensionless membranes, the PCC and DDA models coincide at the leading-order in their separation but differ at the next order. Yet, for distances larger than twice the proteins diameter, the difference is less than . Like the DDA model, the PCC model includes all multibody interactions in a non-approximate way. The asymptotic many-body energy of triangular and square protein clusters is exactly the same in both models. Pentagonal clusters, however, behave differently; they have a vanishing energy in the PCC model, while they have a non-vanishing weaker asymptotic power law in the DDA model. We quantify the importance of multibody interactions in small polygonal clusters of three, four and five inclusions with identical or opposite curvatures in tensionless or tense membranes. We find that the pairwise approximation is almost always very poor. At short separation, the three-body interaction is not sufficient to account for the full many-body interaction. This is confirmed by equilibrium Monte Carlo simulations of up to ten inclusions.

Environment-mediated long-ranged correlations in many-body system

Quantum states in complex aggregates are unavoidably affected by environmental effects, which typically cannot be accurately modeled by simple Markovian processes. As system sizes scale up, nonperturbative simulation becomes thus unavoidable, but they are extremely challenging due to the intimate interplay of intrinsic many-body interaction and time-retarded feedback from environmental degrees of freedom. In this work, we utilize the recently developed quantum dissipation with minimally extended state space approach to address reservoir induced long-ranged temporal correlations in finite size Ising-type spin chains. For thermal reservoirs with ohmic and subohmic spectral density, we simulate the quantum time evolution from finite to zero temperature. The competition between thermal fluctuations, quantum fluctuations, and anti-/ferromagnetic interactions reveals a rich pattern of dynamical phases, including dissipative induced phase transitions and spatiotemporal correlations.

Observation of flat bands and Dirac cones in a pyrochlore lattice superconductor

Emergent phases often appear when the electronic kinetic energy is comparable to the Coulomb interactions. One approach to seek material systems as hosts of such emergent phases is to realize localization of electronic wavefunctions due to the geometric frustration inherent in the crystal structure, resulting in flat electronic bands. Recently, such efforts have found a wide range of exotic phases in the two-dimensional kagome lattice, including magnetic order, time-reversal symmetry breaking charge order, nematicity, and superconductivity. However, the interlayer coupling of the kagome layers disrupts the destructive interference needed to completely quench the kinetic energy. Here we demonstrate that an interwoven kagome network—a pyrochlore lattice—can host a three dimensional (3D) localization of electron wavefunctions. Meanwhile, the nonsymmorphic symmetry of the pyrochlore lattice guarantees all band crossings at the Brillouin zone X point to be 3D gapless Dirac points, which was predicted theoretically but never yet observed experimentally. Through a combination of angle-resolved photoemission spectroscopy, fundamental lattice model and density functional theory calculations, we investigate the novel electronic structure of a Laves phase superconductor with a pyrochlore sublattice, CeRu2. We observe evidence of flat bands originating from the Ce 4f orbitals as well as flat bands from the 3D destructive interference of the Ru 4d orbitals. We further observe the nonsymmorphic symmetry-protected 3D gapless Dirac cone at the X point. Our work establishes the pyrochlore structure as a promising lattice platform to realize and tune novel emergent phases intertwining topology and many-body interactions.

Completely Multipolar Model as a General Framework for Many-Body Interactions as Illustrated for Water.

We introduce a general framework for many-body force fields, the Completely Multipolar Model (CMM), that utilizes multipolar electrical moments modulated by exponential decay of electron density as a common functional form for all terms of an energy decomposition analysis of intermolecular interactions. With this common functional form, the CMM model establishes well-formulated damped tensors that reach the correct asymptotes at both long- and short-range while formally ensuring no short-range catastrophes. CMM describes the separable EDA terms of dispersion, exchange polarization, and Pauli repulsion with short-ranged anisotropy, polarization as intramolecular charge fluctuations and induced dipoles, while charge transfer describes explicit movement of charge between molecules, and naturally describes many-body charge transfer by coupling into the polarization equations. We also utilize a new one-body potential that accounts for intramolecular polarization by including an electric field-dependent correction to the Morse potential to ensure that CMM reproduces all physically relevant monomer properties including the dipole moment, molecular polarizability, and dipole and polarizability derivatives. The quality of CMM is illustrated through agreement of individual terms of the EDA and excellent extrapolation to energies and geometries of an extensive validation set of water cluster data.

Probing the interplay of interactions, screening and strain in monolayer MoS2 via self-intercalation

Controlling many-body interactions in two-dimensional systems remains a formidable task from the perspective of both fundamental physics and application. Here, we explore remarkable electronic structure alterations of MoS2 monolayer islands on graphene on Ir(111) induced by non-invasive self-intercalation. This introduces significant differences in morphology and strain of MoS2 as a result of the modified interaction with the substrate. Consequently, considerable changes of the band gap and non-rigid electronic shifts of valleys are detected, which are a combined effect of the screening of the many-body interactions and strain in MoS2. Furthermore, theory shows that each substrate leaves a unique stamp on the electronic structure of two-dimensional material in terms of those two parameters, restricted by their correlation.

High-Throughput On-Demand Design Platform for Plasmonic Nanocavities: A Wavefunction Theory Approach.

Surface plasmon polaritons from plasmonic nanocavity have aroused great interest due to their applications in various fields, in which on-demand design is hindered by the lack of theoretical frameworks. Herein, based on its wave nature, we developed a wavefunction theory to explicitly describe individual surface plasmon polaritons and the resultant near-field and far-field behaviors, which serves as an efficient platform for high-throughput on-demand design of nanocavities. We found an applicative wavefunction form and proposed a two-body interaction function and a "shell" model for many-body interactions in surface plasmon polaritons' coupling. The wavefunction of individual surface plasmon polaritons and resultant near-field and far-field behaviors can be given explicitly and precisely. The theory provides a fundamental and quantitative understanding of surface plasmon polaritons and enables highly efficient on-demand design of plasmonic metamaterials and devices, leading to further methodological applications in numerous aspects.

Role of bath-induced many-body interactions in the dissipative phases of the Su-Schrieffer-Heeger model

Role of bath-induced many-body interactions in the dissipative phases of the Su-Schrieffer-Heeger model

Nonequilibrium bandgap modification in porphyrin-based metal-organic frameworks revealed by transient absorption spectroscopy

Modifying the equilibrium bandgap has proven to be an effective strategy for optimizing photocarrier properties in metal-organic frameworks (MOFs). In this work, we have investigated the nonequilibrium bandgap modification in cobalt porphyrin-based MOF (Co-TCPP MOF) nanofilms through transient absorption spectroscopy. Our results reveal a captivating redshift–blueshift crossover in the nonequilibrium bandgap of Co-TCPP MOFs, with a staggering maximum shifting value of approximately 170 meV, achieved with an excitation fluence of 96 μJ/cm2. This phenomenon sets the stage for further investigations into harnessing nonequilibrium bandgap modification as a powerful tool for tailoring photocarrier properties. Another key facet of our research is the revelation that the bandgap modification effect observed in Co-TCPP MOFs is strongly dependent on the excitation fluence and is absent in disordered porphyrin molecules. This observation suggests a correlation between the bandgap modification and the amplified many-body interactions present within the ordered MOF structure, thus offering valuable insights into the intricate relationship between bandgap modification, excitation fluence, and ordered MOF structures.

Quantum battery supercharging via counter-diabatic dynamics

Abstract We introduce a counter-diabatic approach for deriving Hamiltonians modeling superchargable quantum batteries (QBs). A necessary requirement for the supercharging process is the existence of multipartite interactions among the cells of the battery. Remarkably, this condition may be insufficient no matter the number of multipartite terms in the Hamiltonian. We analytically illustrate this kind of insufficiency through a model of QB based on the adiabatic version for the Grover search problem. On the other hand, we provide QB supercharging with just a mild number of global connections in the system. To this aim, we consider a spin-$1/2$ chain with $n$ sites in the presence of Ising multipartite interactions. We then show that, by considering the validity of the adiabatic approximation and by adding $n$ terms of $(n-1)$-site interactions, we can achieve a Hamiltonian exhibiting maximum QB power, with respect to a normalized evolution time, growing quadratically with $n$. Therefore, supercharging can be achieved by $O(n)$ terms of multipartite connections. The time constraint required by the adiabatic approximation can be surpassed by considering a counter-diabatic expansion in terms of the gauge potential for the original Hamiltonian, with a limited $O(n)$ many-body interaction terms assured via a Floquet approach for the counter-diabatic implementation.