Quantum Gases
Emergent chiral Higgs mode in $\pi$-flux frustrated lattices
Maria Lanaro, Lorenzo Maffi and Marco Di Liberto
Neutral-atom
quantum simulators provide a powerful platform for realizing strongly correlated phases, enabling access to dynamical signatures of quasiparticles and
symmetry breaking processes. Motivated by recent observations of
quantum phases in flux-frustrated ladders with non-vanishing ground state currents, we investigate interacting
bosons on the dimerized BBH
lattice in two dimensions-originally introduced in the context of higher-order
topology. After mapping out the phase diagram, which includes
vortex superfluid (V-SF),
vortex Mott
insulator (V-MI), and featureless Mott
insulator (MI) phases, we focus on the integer filling case. There, the MI/V-SF transition simultaneously breaks the $\mathbb Z_2^{T}$ and U(1)
symmetries, where $\mathbb Z_2^{T}$ corresponds to time-reversal
symmetry (TRS). Using a slave-
boson description, we resolve the excitation spectrum across the transition and uncover a
chiral Higgs mode whose mass softens at criticality, providing a dynamical hallmark of emergent chirality that manifests via the oscillation of the loop currents in quench dynamics. Our results establish an experimentally realistic setting for probing unconventional TRS-broken phases and quasiparticles with intrinsic chirality in strongly interacting
quantum matter.
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Mesoscale and Nanoscale Physics · Cross-listed from physics.optics
Observation of Unidirectional s-p Orbital Topological Edge States in Driven Photonic Lattices
Gayathry Rajeevan and Sebabrata Mukherjee
Time-periodic modulation of a static system is a powerful method for realizing robust unidirectional topological states. So far, all such realizations have been based on interactions among $s$ orbitals, without incorporating inter-orbital couplings. Here, we demonstrate higher-orbital Floquet topological
insulators by introducing periodically modulated couplings between the optical $s$ and $p$ orbitals in a square
lattice. The staggered phase of the $s$-$p$ couplings gives rise to a synthetic uniform $\pi$
magnetic flux per plaquette of the
lattice, and periodic driving of the couplings opens a topological bandgap, characterized by the Floquet winding number. We image topological edge modes of $s$-$p$ orbitals traveling unidirectionally around a corner. Here, the topological phases are realized by a combined effect of the periodic driving and synthetic
magnetic flux. Consequently, when the synthetic flux is turned off, the system becomes trivial over a range of driving parameters. Our results open a promising pathway for exploring topological phenomena by introducing the orbital degree of freedom.
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Strongly Correlated Electrons · Cross-listed from hep-th
A melonic quantum mechanical model without disorder
Anna Biggs, Loki L. Lin and Juan Maldacena
We consider a
quantum mechanical model involving interacting
fermions without disorder that has the same low energy physics as the supersymmetric SYK model. The model is $SU(2)$ invariant, and the supercharge involves the $ SU(2) $ 3j symbol. We analyze various solvable corners, conceptually explain why it has a melonic expansion, and perform an exact diagonalization for small values of $N$. Expanded around the states with maximal angular momentum, the model is approximated by a two dimensional CFT. The BPS states have a simple description in that regime.
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Mesoscale and Nanoscale Physics
Forbidden second harmonics in centrosymmetric bilayer crystals
Haoning Tang, Zhitong Ding, Tianyi Ruan et al. (+7 more)
Optical spectroscopy based on second-order nonlinearity is a critical technique for characterizing two-dimensional (2D)
crystals as well as bioimaging and
quantum optics. It is generally believed that second-harmonic generation (SHG) in centrosymmetric
crystals, such as
graphene and other
bilayer 2D
crystals, is negligible without externally breaking the inversion
symmetry. Here, we show that with a new homodyne detection technique, we can apparently circumvent this
symmetry-imposed constraint and observe robust SHG in pristine centrosymmetric
crystals, without any
symmetry-breaking field. With its exceptional sensitivity, we resolve polarization-resolved SHG in
bilayer hexagonal boron nitride (h-BN),
bilayer 2H-WSe$_2$, and remarkably, Bernal-stacked
bilayer graphene, allowing us to unambiguously identify the crystallographic orientation in these
crystals via SHG for the first time. We also demonstrate that the new technique can be used to non-invasively detect uniaxial strain and optical
geometric phase in these
crystals. The observed SHG in our experiments is attributed to second-order nonlinearity in the quadrupole channel, which is controlled by the presence of the $C_2$
symmetry instead of the inversion
symmetry. Our new technique expands the capability of nonlinear optical spectroscopy to encompass a large class of centrosymmetric materials that could never be measured before, and can be used for
quantum sensing of moiré materials and twisted epitaxial films.
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All authors Haoning Tang, Zhitong Ding, Tianyi Ruan, Zeyu Hao, Kenji Watanabe, Takashi Taniguchi, Haozhe Wang, Ali Javey, Feng Wang, Yuan Cao
Statistical Mechanics · Cross-listed from physics.flu-dyn
Collapse of statistical equilibrium in large-scale hydroelastic turbulent waves
Marlone Vernet and Eric Falcon
At scales larger than the forcing scale, some out-of-
equilibrium turbulent systems (such as hydrodynamic
turbulence, wave
turbulence, and nonlinear optics) exhibit a state of statistical
equilibrium where energy is equipartitioned among large-scale modes, in line with the Rayleigh-Jeans spectrum. Key open questions now pertain to either the emergence, decay, collapse, or other nonstationary evolutions from this state. Here, we experimentally investigate the free decay of large-scale hydroelastic turbulent waves, initially in a regime of statistical
equilibrium. Using space- and time-resolved measurements, we show that the total energy of these large-scale tensional waves decays as a power law in time. We derive an energy decay law from the theoretical initial
equilibrium spectrum and the linear viscous damping, as no net energy flux is carried. Our prediction then shows a good agreement with experimental data over nearly two decades in time, for various initial effective temperatures of the statistical
equilibrium state. We further identify the dissipation mechanism and confirm it experimentally. Our approach could be applied to other decaying
turbulence systems, with the large scales initially in statistical
equilibrium.
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Mesoscale and Nanoscale Physics
Universal Transport Theory for Paired Fractional Quantum Hall States in the Quantum Point Contact Geometry
Eslam Ahmed, Ryoi Ohashi, Hiroki Isobe et al. (+2 more)
Even-denominator fractional
quantum Hall (FQH) states can be viewed as topological
superconductors of composite
fermions, supporting a charged
chiral mode and $|\mathcal{C}_{cf}|$ neutral Majorana modes set by the Chern number $\mathcal{C}_{cf}$. Despite ongoing efforts, distinguishing the many competing paired phases remains an open problem. In this work, we propose a unified theory of charge transport across a
quantum point contact (QPC) for general paired FQH states described by an $so(N)_1 \times u(1)$ conformal field theory. We derive the boundary effective action for an arbitrary number of Majorana
fermions $N=|\mathcal{C}_{cf}|$ and develop a non-perturbative instanton approximation to describe tunneling processes. We establish a weak-strong duality relating strong quasiparticle tunneling to weak electron tunneling. We calculate the scaling dimensions of the tunneling operators and demonstrate that while the weak-coupling fixed point is generally unstable, the strong-coupling fixed point is stable for physically relevant filling fractions and number of Majorana
fermions. These transport exponents provide a distinct experimental fingerprint to identify the topological phases of even-denominator FQH states.
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All authors Eslam Ahmed, Ryoi Ohashi, Hiroki Isobe, Kentaro Nomura, Yukio Tanaka
Statistical Mechanics
Bayesian umbrella quadrature accelerates free-energy calculations across diverse molecular systems and processes
Eline K. Kempkes and Alberto Pérez de Alba Ortíz
Biased sampling in molecular dynamics simulations overcomes timescale limitations and delivers free-energy landscapes, essential to understand complex atomistic phenomena. However, when applied across diverse systems and processes, biasing protocols often require time- and resource-consuming fine-tuning. In search for robustness, we boost a prominent biasing method, Umbrella Sampling. To estimate the value of an integral, i.e., the free energy, our
Bayesian Umbrella Quadrature (BUQ) method iteratively selects gradient samples, i.e., bias locations, that most reduce the posterior integral variance based on a noise-tolerant Gaussian process model, which also effectively interpolates between samples. We validate the method for a conformational change in a small peptide, a water-to-ice phase transition, and a substitution chemical reaction; obtaining excellent accuracies and speedups. To ease adoption of this more automated and universal free-energy method, we interface BUQ with wide-spread simulation packages and share hyperparametrization guidelines.
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Mesoscale and Nanoscale Physics
Local Magnetometry from Measurement-Induced Dissipation
Rishith Reddy V, Parveen Kumar and Ankur Das
Magnetic phases are commonly identified through macroscopic magnetization, yet many ordered states, including antiferromagnets and altermagnets, possess a vanishing net moment despite distinct local
spin structure. We show that such an order can be accessed through the measurement-induced steady state of a single primary
qubit locally coupled to a
spin lattice. Using a controlled primary-ancillary
qubit protocol, we derive analytically that the steady state encodes a locally weighted exchange field in a signed observable that is linear in the weak-coupling regime. Numerical simulations demonstrate
lattice-scale resolution of
antiferromagnetic and altermagnetic textures and robustness against short-correlated noise. Our results establish measurement-induced dissipation as a resource for detecting
magnetic order through microscopic structure rather than through global moments.
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Materials Science
Cyclic- and helical-symmetry-adapted phonon formalism within density functional perturbation theory
Abhiraj Sharma and Phanish Suryanarayana
We present a first-principles framework for the calculation of
phonons in nanostructures with cyclic and/or helical
symmetry. In particular, we derive a cyclic- and helical-
symmetry-adapted representation of the dynamical
matrix at arbitrary
phonon wavevectors within a variationally formulated,
symmetry-adapted density functional perturbation theory framework. In so doing, we also derive the acoustic sum rules for cylindrical geometries, which include a rigid-body rotational mode in addition to the three translational modes. We implement the cyclic- and helical-
symmetry-adapted formalism within a high-order finite-difference discretization. Using carbon nanotubes as representative systems, we demonstrate the accuracy of the framework through excellent agreement with periodic plane-wave results. We further apply the framework to compute the Young's and shear
moduli of carbon nanotubes, as well as the scaling laws governing the dependence of ring and radial breathing mode
phonon frequencies on nanotube diameter. The elastic
moduli are found to be in agreement with previous density functional theory and experimental results, while the
phonon scaling laws show qualitative agreement with previous atomistic simulations.
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Statistical Mechanics
Stochastic search with space-dependent diffusivity
Hwai-Ray Tung and Sean D Lawley
The canonical model of
stochastic search tracks a randomly diffusing "searcher" until it finds a "target." Owing to its many applications across science and engineering, this perennially popular problem has been thoroughly investigated in a variety of models. However, aside from some exactly solvable one-dimensional examples, very little is known if the searcher diffusivity varies in space. For such space-dependent or "heterogeneous"
diffusion, one must specify the interpretation of the multiplicative noise, which is termed the Itô-Stratonovich dilemma. In this paper, we investigate how
stochastic search with space-dependent diffusivity depends on this interpretation. We obtain general formulas for the probability distribution and all the moments of the
stochastic search time and the so-called splitting probabilities assuming that the targets are small or weakly reactive. These asymptotic results are valid for general space-dependent diffusivities in general domains in any space dimension with targets of general shape which may be in the interior or on the boundary of the domain. We illustrate our theory with
stochastic simulations. Our analysis predicts that
stochastic search can depend strongly and counterintuitively on the multiplicative noise interpretation.
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Mesoscale and Nanoscale Physics
Dynamical stability by spin transfer in nearly isotropic magnets
Hidekazu Kurebayashi, Joseph Barker, Takumi Yamazaki et al. (+9 more)
Spin transfer torques (STTs) control magnetisation by electric currents, enabling a range of nano-scale spintronic applications. They can destabilise the
equilibrium magnetisation state by counteracting
magnetic relaxation. Here, we maximise the STT effect through a dedicated growth-annealing protocol for CoFeB thin films, such that
magnetic anisotropies originating from the interface and shape almost cancel each other. The nearly isotropic magnets enable low-current dynamical stabilisation of the magnetisation in the direction opposite to an applied
magnetic field, thereby realising a spintronic analogue of the Kapitza pendulum. In an intermediate current regime, the STT drives large magnetisation vector fluctuations that cover the entire Bloch sphere. The continuous variable associated with the
stochastic magnetisation direction may serve as a resource for probabilistic computing and neuromorphic hardware. Our results establish isotropic magnets as a platform to study as-yet-uncharted, far-from-
equilibrium spin dynamics including anti-magnonics, with promising implications for unconventional computing paradigms.
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All authors Hidekazu Kurebayashi, Joseph Barker, Takumi Yamazaki, Varun K. Kushwaha, Kilian D. Stenning, Harry Youel, Xueyao Hou, Troy Dion, Daniel Prestwood, Gerrit E. W. Bauer, Kei Yamamoto, Takeshi Seki
Strongly Correlated Electrons
Reduction of Ordered Spin Moments in Antiferromagnets of S = 5/2 Ions (Fe3+, Mn2+) Driven by Local Magnetic Excitation
Myung-Hwan Whangbo, Reinhard K. Kremer and Hyun-Joo Koo
For antiferromagnets composed of
spin five-half ions, the moments of these ions in the ordered
antiferromagnetic state can be significantly smaller than 5 BM (i.e., 1.56 - 4.48 BM) if these ions form
quantum fluctuating entities (QFEs), for example, quasi one-dimensional uniform
antiferromagnetic chains or quasi zero-
spin antiferromagnetic spin dimers. It is reasonable to suppose that the stronger the
quantum fluctuation in such an antiferromagnet, the greater the reduction in its ordered moment would become, but this supposition has not yet been confirmed because quantifying the strength of
quantum fluctuation is not a straightforward matter. Here we show that the local
magnetic excitations involving the QFEs can be used to quantify the strength of
quantum fluctuation by analyzing six antiferromagnets showing significant reduction in their ordered
spin moments.
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Superconductivity
Coupling of Klein-Andreev Resonant States in Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$-graphene-Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$ Devices
Sharadh Jois, Jose L. Lado, Genda Gu et al. (+2 more)
Quantum devices require coherent coupling over macroscopic distances. Recently, resonances due to Klein tunneling and Andreev reflection states (KARS) have been observed in a naturally occurring p-n junction at the interface between Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$ (BSCCO), a high-Tc
superconductor (HTS), and
graphene. The resonances appear as conductance oscillations with gating. Here, we show coupling between the KARS in BSCCO-
graphene-BSCCO devices of varying separation (L). The coupling is evidenced by a power-law decay of resonance period as L increases from tens of nanometers to single microns. These results demonstrate the long-distance coupling of KARS cavities in
graphene-HTS junctions. The length dependence seen in experiments is supported by single-particle spectral functions which show KARS are coupled by transport modes in
graphene. The strong coupling between KARS in BSCCO-
graphene-BSCCO junctions showcases the novelty of HTS-
graphene junctions for
quantum circuits and unconventional Josephson junctions.
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All authors Sharadh Jois, Jose L. Lado, Genda Gu, Qiang Li, Ji Ung Lee
Strongly Correlated Electrons
Parameterized families of 2+1d $G$-cluster states
Shuhei Ohyama and Kansei Inamura
We construct a $G$-cluster
Hamiltonian in 2+1 dimensions and analyze its properties. This model exhibits a $G\times2\mathrm{Rep}(G)$
symmetry, where the $2\mathrm{Rep}(G)$ sector realizes a non-invertible
symmetry obtained by condensing appropriate
algebra objects in $\mathrm{Rep}(G)$. Using the
symmetry interpolation method, we construct $S^1$- and $S^2$-parameterized families of short-range-entangled (SRE) states by interpolating an either invertible $0$-form or $1$-form
symmetry contained in $G\times2\mathrm{Rep}(G)$. Applying an adiabatic
evolution argument to this family, we analyze the pumped interface mode generated by this adiabatic process. We then explicitly construct the
symmetry operator acting on the interface and show that the interface mode carries a nontrivial charge under this
symmetry, thereby demonstrating the nontriviality of the parameterized family.
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Strongly Correlated Electrons
Generalized cluster states in 2+1d: non-invertible symmetries, interfaces, and parameterized families
Kansei Inamura and Shuhei Ohyama
We construct 2+1-dimensional
lattice models of
symmetry-protected topological (SPT) phases with non-invertible
symmetries and investigate their properties using tensor networks. These models, which we refer to as generalized cluster models, are constructed by gauging a subgroup
symmetry $H \subset G$ in models with a finite group 0-form
symmetry $G$. By construction, these models have a non-invertible
symmetry described by the group-theoretical fusion 2-category $\mathcal{C}(G; H)$. After identifying the tensor network representations of the
symmetry operators, we study the
symmetry acting on the interface between two generalized cluster states. In particular, we will see that the
symmetry at the interface is described by a multifusion category known as the strip 2-
algebra. By studying possible interface modes allowed by this
symmetry, we show that the interface between generalized cluster states in different SPT phases must be degenerate. This result generalizes the ordinary bulk-boundary correspondence. Furthermore, we construct parameterized families of generalized cluster states and study the topological charge pumping phenomena, known as the generalized Thouless pump. We exemplify our construction with several concrete cases, and compare them with known phases, such as SPT phases with $2\mathrm{Rep}((\mathbb{Z}_{2}^{[1]}\times\mathbb{Z}_{2}^{[1]})\rtimes\mathbb{Z}_{2}^{[0]})$
symmetry.
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Mesoscale and Nanoscale Physics
Magnetization reversal mechanism of double-helix nanowires probed by dark-field magneto-optical Kerr effect
Takeaki Gokita, Jakub Jurczyk, Naëmi Leo et al. (+8 more)
Double-helix (DH) nanowires provide a platform to study the influence of
geometric chirality on
spin chirality. Their three-dimensional (3D) helical architecture and tunable inter-strand coupling enable control of
spin chirality, including the stabilization of topological 3D
magnetic states such as helical domains and domain walls, topological stray fields, and extended helical
vortex/skyrmion tubes. So far, the study of these and other 3D nanostructures is usually confined to a limited number of
magnetic microscopy experiments in large facilities. Here, we investigate the reversal mechanism of a single DH nanowire using Dark-Field magneto-optical Kerr effect (DF-MOKE) magnetometry under external 3D
magnetic fields. By analyzing the angular dependence of the DF-MOKE signal, we fit the reversal process using established models for domain-wall nucleation and propagation, finding a characteristic behavior similar to that reported for cylindrical nanowires. Micromagnetic simulations indicate that the reversal process goes through nucleation of the helical
vortex tube in a curling manner while ptychographic X-ray
magnetic circular dichroism data reveal that this helical
vortex tube state forms through a mixed nucleation-propagation process. These observations provide a consistent microscopic picture of reversal mediated by a helical
vortex tube extending along the nanowire. Our work provides a comprehensive characterization of magnetization reversal in DH nanowires and demonstrates that DF-MOKE magnetometry is effective for probing reversal mechanisms in single 3D nanostructures. This lab-based approach expands the range of accessible experiments beyond large-scale facilities, enabling extensive exploration of the rich
spin states supported by 3D nano-geometries.
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All authors Takeaki Gokita, Jakub Jurczyk, Naëmi Leo, Sabri Koraltan, Alberto Anadón, Miguel Ángel Cascales-Sandoval, Rachid Belkhou, Claas Abert, Dieter Suess, Claire Donnelly, Amalio Fernández-Pacheco
Quantum Gases · Cross-listed from quant-ph
Open quantum spin chains with non-reciprocity: a theoretical approach based on the time-dependent generalized Gibbs ensemble
Alice Marché, Hironobu Yoshida, Alberto Nardin et al. (+2 more)
We study an open
quantum spin chain with non-reciprocal dissipation using a theoretical approach known as time-dependent generalized Gibbs ensemble. In the regime of weak dissipation the system is fully characterized by its rapidity distribution and we derive a closed set of coupled differential equations governing their time
evolution. We check the accuracy of this theory by benchmarking the results against numerical simulations. Using this framework we are able to compute both the magnetization density and current dynamics, identifying some relations between the two. The problem of the anomalous power-law exponents identified in a previous work is discussed. Our work constitutes a theoretical approach that is able to describe the physics of non-reciprocal open
quantum spin chains beyond analyses based on non-interacting
fermions.
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All authors Alice Marché, Hironobu Yoshida, Alberto Nardin, Hosho Katsura, Leonardo Mazza
Statistical Mechanics · Cross-listed from math-ph
Application of the theory of C*-algebras to the emergence of hydrodynamics in quantum many-body systems
Dimitrios Ampelogiannis
This Ph.D. thesis reports on progress in rigorously establishing hydrodynamic principles from the microscopic
Hamiltonian dynamics of
quantum many-body systems in a general, non-model-specific manner. Using the C*-
algebra framework of statistical mechanics, we treat systems directly in the thermodynamic limit, primarily focusing on
quantum lattice models where tools such as Lieb-Robinson bounds yield rigorous statements. We thus provide a proof-of-principle that large-scale behaviours can indeed be seen as emerging from microscopic dynamics, with mathematical proof. We first report on ergodicity results in short-range models with exponentially decaying or finite-range interactions. We show that time-averaged observables converge to their ensemble averages and decorrelate from all other observables almost everywhere within the light-cone defined by Lieb-Robinson bounds. This relaxation property indicates the loss of information at large scales, from which we prove a Boltzmann-Gibbs principle: at the Euler scaling limit of large time and distance, observables project onto hydrodynamic modes (extensive conserved quantities), within correlation functions. These results hold independently of microscopic details, capturing the physical idea that such details are lost at large space-time scales. Regarding finer scales of hydrodynamics, we discuss rigorous lower bounds on the strength of
diffusion. We establish a general result on the clustering of n-th order connected correlations within C* dynamical systems. These results are applied to obtain a strictly positive lower bound on the
diffusion constant of chaotic open
quantum spin chains with nearest-neighbor interactions. This thesis underlines the universality of hydrodynamic principles, provides a framework for establishing them rigorously, and sets the stage for future progress toward the goal of proving the hydrodynamic equations.
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Superconductivity
Sublattice polarization and filamentary superconductivity in strained graphene
Tao Zhou
Periodic strain engineering in monolayer
graphene provides a versatile platform to generate colossal pseudo-
magnetic fields and flat pseudo-Landau levels directly in a single atomic sheet. While the electronic
topology and transport properties of the normal state in these systems have been extensively studied, the superconducting ground state in such strain-modulated landscapes remains an unexplored frontier. In this work, we investigate the superconducting phase of periodically corrugated
graphene using a self-consistent Bogoliubov-de Gennes framework. We find that, contrary to the conventional expectation that a high density of states universally enhances pairing, the macroscopic superconducting coherence is significantly hindered in the flat-band regions. This limitation originates from strain-induced sublattice polarization, where the zero-energy electronic states are spatially segregated between the $A$ and $B$ sublattices. Such spatial disjointedness hampers the inter-sublattice coherence required for a robust pairing instability, effectively decoupling the high-density flat-band states from the superconducting condensate. Consequently, as the pairing interaction increases, the system undergoes a striking spatial crossover: superconductivity sharply relocates from the flat-band regions to emerge as robust, quasi-one-dimensional filaments at the
geometric nodes where local sublattice
symmetry is restored. Our findings reveal that the spatial distribution of wavefunctions, governed by sublattice degrees of freedom, is a decisive factor in determining the superconducting properties of strain-engineered Dirac materials.
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Materials Science · Cross-listed from physics.optics
Excitonic Landscape of Monolayer Transition-Metal Dichalcogenides: Experimental Discrepancies, Theoretical Advances, and Strain Dependence
Cem Sevik, Purushothaman Manivannan, Fulvio Paleari et al. (+1 more)
Excitons in monolayer transition-metal dichalcogenides (TMDs) have garnered significant
attention because of their large binding energies due to weakly screened Coulomb interaction, and direct bandgap at the K/K$^\prime$ point in the hexagonal Brillouin zone featuring
spin-polarised bands due to
spin-orbit coupling and lack of inversion
symmetry. This makes them prospective for next-generation optoelectronic and
quantum devices. However, despite the intense research activity, the reported values for
exciton binding energies, quasiparticle gaps, and spectral features exhibit substantial variation across both experimental and theoretical studies. In this article, we present a comprehensive and critical assessment of the current understanding of excitonic properties in single-layer TMDs, integrating results from the angle-resolved photoemission spectroscopy (ARPES), photoluminescence (PL) measurements, and other experimental techniques with first-principles theoretical insights. Special emphasis is placed on the comparison and reconciliation of discrepancies observed across different experimental setups and sample qualities. Furthermore, we highlight our state-of-the-art GW-BSE calculations, which include both
equilibrium and laterally strained systems, to systematically analyse the behaviour of direct and indirect
excitons. By evaluating the effect of strain as a tunable control variable, we demonstrate its potential to engineer excitonic properties, supported by cross-validation against prior theoretical predictions and experimental findings. In doing so, we clarify the sources of discrepancies in the literature and offer a unified perspective on excited-state engineering strategies in two-dimensional TMDs.
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All authors Cem Sevik, Purushothaman Manivannan, Fulvio Paleari, Milorad V. Milosevic
Strongly Correlated Electrons
Linear Ensemble-Constrained Quantum Monte Carlo: From Dilute Fermi Gas to Flat-Band Ferromagnetism
Tu Hong, Kun Chen and Xiao Yan Xu
We present a finite-temperature canonical-ensemble determinant
quantum Monte Carlo
algorithm that enforces an exact
fermion number and enables numerically stable simulations of correlated
lattice fermions. We propose a stabilized QR update that reduces the computational complexity from standard cubic scaling $O(\beta N^3)$ to linear scaling $O(\beta N N_e^2)$ with respect to the system size $N$, where $N_e$ is the particle number. This yields a dramatic speedup in dilute regimes ($N_e \ll N$), opening unbiased access to large-scale simulations of strongly correlated low-density phases. We validate the method on the dilute
Fermi gas with onsite Hubbard interactions, observing the suppression of the
fermion sign problem in the dilute limit. Furthermore, we apply this approach to a one-dimensional flat-band system, where the canonical ensemble allows for precise control over filling. We reveal a
ferromagnetic instability at low temperatures in the half-filling regime. Our linear-scaling approach provides a powerful tool for investigating emergent phenomena in dilute
quantum matter.
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Soft Condensed Matter
Beyond uniform screening: electrostatic heterogeneity dictates solution structure of complex macromolecules
Fabrizio Camerin, Marco Polimeni, Letizia Tavagnacco et al. (+7 more)
The complexity of biomolecular interactions necessitates advanced methodologies to accurately capture their behavior in solution. In this work, we focus on monoclonal antibodies and adopt a multi-scale coarse-graining strategy for their modeling, with particular emphasis on the role of electrostatic interactions. Using scattering experiments, theoretical analysis, and large-scale computer simulations, we explicitly compare two selected case studies-markedly different in their charge distributions. Through mutually corroborating lines of evidence, we demonstrate that conventional approaches relying on electrostatic screening and implicit charge representations fail to capture the structural and thermodynamic properties of antibody solutions when strong charge heterogeneity is present, even at a moderate (amino acid) level of coarse-graining. These findings highlight the importance of a correct treatment of electrostatic interactions and ion screening for heterogeneously- and oppositely-charged colloidal and
protein systems. Such considerations are essential to move beyond descriptive models towards a truly predictive framework, with direct implications for the formulation of therapeutics and the treatment of other complex soft-matter systems.
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All authors Fabrizio Camerin, Marco Polimeni, Letizia Tavagnacco, Jeffrey C. Everts, Szilard Saringer, Alessandro Gulotta, Nicholas Skar-Gislinge, Anna Stradner, Emanuela Zaccarelli, Peter Schurtenberger
Materials Science
Fractional-Monolayer 2D-GaN/AlN Structures: Growth Kinetics and UVC-emitter Applications
V.N. Jmerik, D.V. Nechaev, E.A. Evropeitsev et al. (+11 more)
The paper reports on fundamental properties of the GaN/AlN
quantum wells (QWs) with nominal subcritical thicknesses of 0.75-2 monolayers (MLs). They are grown by
plasma-activated molecular beam epitaxy, varying either the nominal thickness or the gallium-to-nitrogen flux ratio. In situ monitoring reveals difference in 2D nucleation and step-flow growth modes of the QWs. The emission charactestics of QWs with integer thicknesses of 1 and 2 MLs depend weakly on the growth mechanism. In contrast, the intensity and spectral position luminescence of QWs with fractional-ML thicknesses are determined by the growth mechanism. Using ab initio calculations, a phenomenological model is proposed that describes fractional-ML QWs either as arrays of 2D
quantum disks or as arrays of 2D
quantum ribbons, in cases where 2D nucleation or step-flow growth mechanisms predominate, respectively. This model is generally consistent with experimental data on photo- and cathodoluminescence of
heterostructures with multiple (250) GaN/AlN QWs. These
heterostructures, when pumped by electrom beam at an energy 12.5 keV with a maximum pulse current of 2 A, exhibit linear current dependences of optical peak powers up to 1 and 37 W for wavelengths of 228 and 256 nm, respectively, making them promising for use as powerfull ultraviolet-C emitters.
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All authors V.N. Jmerik, D.V. Nechaev, E.A. Evropeitsev, E.M. Roginskii, A.N. Semenov, M.A. Yagovkina, P.A. Alekseev, V.I. Kozlovsky, M.M. Zverev, N.A. Gamov, Tao Wang, Xinqiang Wang, T.V. Shubina, A.A. Toropov
Statistical Mechanics · Cross-listed from physics.bio-ph
Optimal Discretization in Hour-Glass Molecular Clocks Driven by Oscillating Free Energy
Zhuangcheng Zhen, Kaiyue Shi, Qi Ouyang et al. (+1 more)
Hour-glass clocks do not free-run; they keep time by riding an external rhythm. Motivated by the
primordial KaiBC system in cyanobacteria, we study a driven, finite-state molecular clock that advances through a small number of biochemical states under an intrinsic driving energy and a rotating energy landscape set by day-night metabolism. In the continuum limit, coherence is maximized at a resonant operating point where the intrinsic drift matches the driving frequency. In realistic clocks with a finite number of states, discreteness matters: as the rotating landscape sweeps over a
lattice of states, it generates a small and high frequency vibration of the collective phase that makes timing inaccurate. Combining the resonant cost with this discreteness penalty yields a trade-off in the number of states: few states are energetically cheap but noisy; many states are precise but costly. The optimum lies at moderate discretization (typically five to fifteen states) and an environmental coupling that is strong enough for responsiveness yet weak enough to avoid large discrete-state vibrations. These design rules rationalize why KaiC's hexameric architecture falls near the predicted optimum and suggest a general principle for hour-glass clocks across organisms.
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All authors Zhuangcheng Zhen, Kaiyue Shi, Qi Ouyang, Yuansheng Cao
Statistical Mechanics
Unavoidable Canonical Nonlinearity Induced by Gaussian Measures Discretization
Koretaka Yuge
When we consider canonical averages for classical discrete systems, typically referred to as substitutional
alloys, the map phi from many-body interatomic interactions to thermodynamic
equilibrium configurations generally exhibits complicated nonlinearity. This canonical nonlinearity is fundamentally rooted in deviations of the discrete configurational density of states (CDOS) from continuous Gaussian families, and has conventionally been characterized by the Kullback-Leibler (KL) divergence on discrete statistical
manifold. Thus, the previous works inevitablly missed intrinsic nonlinearities induced by discretization of Gaussian families, which remains invisible within conventional information-
geometric descriptions. In the present work, we identify and quantify such unavoidable canonical nonlinearity by employing the specific transport cost W'2on the 2-Wasserstein framework with a cost function aligned with the Fisher metric for Gaussian families. We derive an explicit expression for this transport cost W'2 in the limit of vanishing discretization scale d to 0. We further show that this limiting Wasserstein distance admits a clear
geometric interpretation on the statistical
manifold, equivalent to a KL divergence associated with the expected parallel translations of continuous Gaussian. Our framework thus provides a transport-information-
geometric characterization of discretization-induced nonlinearity in classical discrete systems. In addition, we confirm that this W'2-KL equivalence admits a natural generalization beyond Gaussian families. The correspondence reveals that the irreversible
geometric distortion of the local measure induced by discretization, while extrinsic to information geometry alone, can generically be characterized by a standard KL divergence.
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Strongly Correlated Electrons
Collinear Magnetic Structure in the Diamond Network Magnet EuTi$_2$Al$_{20}$
Masahiro Kawamata, Ryuji Higashinaka, Takeshi Matsumura et al. (+5 more)
The
magnetic structure of EuTi$_2$Al$_{20}$, in which
magnetic Eu$^{2+}$ ions form a diamond network, was investigated using
neutron and resonant X-ray diffraction on powder and single-
crystal samples. The propagation vector was determined to be $\textbf{\textit{q}}_{\rm m}=(1,0,0)$~r.l.u. from these diffraction measurements. All possible
magnetic structures in the space group $Fd\bar{3}m$ with this propagation vector were examined using the irreducible representation method and
magnetic space group analysis. This
magnetic structure was identified as a collinear
antiferromagnetic structure with the
magnetic space group $P_Inna$ (\#52.320) or $P_Inn2$ (\#34.164) under zero
magnetic field. In these
magnetic structure, frustration arises from competing
magnetic interactions on the diamond network. These findings provide a concrete experimental reference for assessing the role of competing interactions in diamond-network magnets and motivate further studies of interaction-driven
quantum states.
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All authors Masahiro Kawamata, Ryuji Higashinaka, Takeshi Matsumura, Maxim Avdeev, Kazuaki Iwasa, Hironori Nakao, Kazumasa Hattori, Tatsuma D. Matsuda
Statistical Mechanics · Cross-listed from physics.geo-ph
Large earthquakes follow highly unequal ones
Sudip Sarkar and Soumyajyoti Biswas
It was conjectured for a long time that the tectonic plates are in a self-organised state of criticality and that the Gutenberg-Richter law is a manifestation of that. It was recently shown that for a system near criticality, the inequality of their responses due to external driving would sharply rise and show universal behavior that could indicate the proximity of the system to a critical point. As a result, measures such as the Gini and Kolkata indices that quantify inequality can also serve as indicators of imminent criticality and those of diverging (system-spanning) responses. In the context of earthquakes, such a large response would correspond to events of high magnitudes. In this work, we show with numerical simulations and seismic data analysis that large earthquake events have a tendency to follow events that are highly unequal, similar to the case of a system near a critical point. Even though this is not a proof of tectonic plate systems being near-critical, a continuous monitoring of the inequality indices of the earthquake time series could be an useful tool for hazard estimates. We have applied this framework to models of earthquakes as well as to the earthquake time series from various seismically active regions, such as North America, Southern Japan, parts of Southeast Asia and Indonesia. The findings indicate that the SOC picture of tectonic plates is consistent with the increase in size inequality of earthquakes, even though this cannot be treated as a rigorous proof.
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Statistical Mechanics
Eigenstate thermalization in thermal first-order phase transitions
Maksym Serbyn, Alexander Avdoshkin, Oriana K. Diessel et al. (+1 more)
The eigenstate thermalization hypothesis (ETH) posits how isolated
quantum many-body systems thermalize, assuming that individual eigenstates at the same energy density have identical expectation values of local observables in the limit of large systems. While the ETH apparently holds across a wide range of interacting
quantum systems, in this work we show that it requires generalization in the presence of thermal first-order phase transitions. We introduce a class of all-to-all
spin models, featuring first-order thermal phase transitions that stem from two distinct mean-field solutions (two “branches”) that exchange dominance in the many-body density of states as the energy is varied. We argue that for energies in the vicinity of the thermal phase transition, eigenstate expectation values do not need to converge to the same thermal value. The system has a regime with coexistence of two classes of eigenstates corresponding to the two branches with distinct expectation values at the same energy density, and another regime with Schrodinger-cat-like eigenstates that are inter-branch superpositions; these two regimes are separated by an eigenstate phase transition. We support our results by semiclassical calculations and an exact diagonalization study of a microscopic
spin model, and argue that the structure of eigenstates in the vicinity of thermal first-order phase transitions can be experimentally probed via non-
equilibrium dynamics.
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All authors Maksym Serbyn, Alexander Avdoshkin, Oriana K. Diessel, David A. Huse
Materials Science
Effect of Interatomic Potential Choice on Fracture Modes of Graphene with Parallel Cracks
Suyeong Jin, Jung-Wuk Hong and Alexandre F. Fonseca
Defect engineering via parallel cracks has been proposed as a route to tailor the fracture response of
graphene. However, atomistic fracture predictions can be strongly sensitive to the interatomic potential. Here, we quantify the effect of potential choice by revisiting H-passivated
graphene containing two parallel cracks separated by a gap $W_{\text{gap}}$ loaded in tension along the armchair (AC) and zigzag (ZZ) directions. Molecular dynamics simulations using the AIREBO potential under the same geometry and loading protocol previously studied with ReaxFF, are employed, so enabling a direct comparison. Stress-strain responses, Young's modulus, an effective mode-I stress intensity factor, and energy absorption are evaluated as functions of $W_{\text{gap}}$. Compared with ReaxFF, AIREBO predicts lower peak stresses and earlier catastrophic softening, leading to reduced post-peak deformation capacity and energy absorption. Ductility and energy absorption are shown to be highly potential-dependent, underscoring the need for careful potential selection in defect-engineered
graphene fracture simulations.
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Disordered Systems and Neural Networks
Critical quantum states and hierarchical spectral statistics in a Cantor potential
F. Iwase
We study the spectral statistics and wave-function properties of a one-dimensional
quantum system subject to a Cantor-type fractal potential. By analyzing the nearest-neighbor level spacings, inverse participation ratio (IPR), and the scaling behavior of the integrated density of states (IDS), we demonstrate how the self-similar geometry of the potential is imprinted on the
quantum spectrum. The energy-resolved level spacings form a hierarchical, filamentary structure, in sharp contrast to those of periodic and random systems. The normalized level-spacing distribution exhibits a bimodal structure, reflecting the deterministic recurrence of spectral gaps. A multifractal analysis of eigenstates reveals critical behavior: the generalized fractal dimensions $D_q$ lie strictly between the limits of extended and localized states, exhibiting a distinct $q$-dependence. Consistently, the IPR indicates the coexistence of quasi-extended and localized features, characteristic of critical wave functions. The IDS shows anomalous power-law scaling at low energies, with an exponent close to the Hausdorff dimension of the underlying Cantor set, indicating that the
geometric fractality governs the spectral dimensionality. At higher energies, this scaling crosses over to the semiclassical Weyl law. Our results establish a direct connection between deterministic fractal geometry, hierarchical spectral statistics, and
quantum criticality.
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