Mesoscale and Nanoscale Physics
On fast charged particles scattering on zigzag nanotube
Viktoriia Omelchenko
A fast charged particle scattering on a single-wall carbon nanotube of zigzag type was considered. The differential cross sections of scattering on nanotubes of different spatial orientation with respect to the incident particles were obtained. The eikonal approximation of
quantum electrodynamics and the continuous potential approximation were used.
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Materials Science
Doping induced magnetism and half-metallicity in nanoribbons of quartic dispersion materials
Emin Aliyev, Arash Mobaraki, Hâldun Sevinçli et al. (+1 more)
Two-dimensional (2D) quartic dispersion materials are known to develop magnetization upon doping. Here we conduct a systematic investigation of magnetization in hole-doped quartic dispersion materials (GaS, InSe, TiO$_{2}$), focusing on the effects of structural confinement from 2D monolayers to quasi-one-dimensional nanoribbons (NRs). Upon hole doping, these NRs develop itinerant magnetization across a broad range of carrier densities and display half-metallic behavior. The
spin-polarization energies ($E_{sp}$) of these NRs enhance remarkably relative to their 2D counterparts, with maximum increase being in the case of TiO$_{2}$ from 31 to 103 meV/carrier. The $E_{sp}$ strongly depends on the degree of localization of the
magnetic moments along the width of NRs, which is determined by edge passivation and ribbon width. Strong deformation of the topmost valence bands at higher dopings indicates deviation from the Stoner mechanism.
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All authors Emin Aliyev, Arash Mobaraki, Hâldun Sevinçli, Seymur Jahangirov
Strongly Correlated Electrons
Coincidence detection techniques for direct measurement of many-body correlations in strongly correlated electron systems
Yuehua Su, Guoya Zhang, Chao Zhang et al. (+1 more)
Research on strongly correlated electron systems faces a fundamental challenge due to the complex nature of intrinsic many-body correlations. A key strategy to address this challenge lies in advancing experimental methods that can directly probe and elucidate the underlying many-body correlations. In this perspective article, we discuss the theoretically proposed coincidence detection techniques, which are designed to directly measure two-body correlations in various particle-particle and particle-hole channels, with momentum, energy, and/or spatial resolution. We also explore the prospects of these coincidence detection techniques for future theoretical and experimental developments. The successful implementation and refinement of these coincidence detection techniques promise to deliver powerful new approaches for unraveling long-standing puzzles in strongly correlated electron systems, such as the enigmatic mechanism of unconventional superconductivity and the long-sought
quantum spin liquids. Furthermore, these coincidence detection techniques will offer powerful new methods to investigate novel phenomena like itinerant magnetism and electronic nematicity in
quantum materials.
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All authors Yuehua Su, Guoya Zhang, Chao Zhang, Dezhong Cao
Mesoscale and Nanoscale Physics
Localization, transport, flux induced extended modes and mobility edge in a self-similar corral substrate
Sayan Bhattacharya, Rhiddha Acharjee and Atanu Nandy
We address that a single-band tight-binding
Hamiltonian defined on a self-similar corral substrate can give rise to a set of non-diffusive localized modes that follow the same hierarchical distribution. As the
lattice, the spatial extent of
quantum prison containing a cluster of atomic sites is dependent on the generation of fractal structure. Apart from the
quantum imprisonment of the excitation, a
magnetic flux threading each elementary plaquette is shown to destroy the boundedness and generate an absolutely continuous sub-band populated by resonant eigen functions. Flux induced engineering of
quantum states is corroborated through the evaluation of inverse participation ratio and
quantum transport. Moreover, the robustness of the extended states has been checked in presence of diagonal disorder and off-diagonal anisotropy. Flux modulated single-particle mobility edge is characterized through mutlifractal analysis.
Quantum interference is the essential issue, reported here, that manipulates the kinematics of the excitation and this is manifested by the workout of persistent current.
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Materials Science
Chemical Vapor Deposition of Nitrides by Carbon-free Brominated Precursors
Stefano Leone, Teresa Duarte, Hanspeter Menner et al. (+6 more)
The epitaxial growth of group 13-nitride
semiconductors (GaN, AlN, and AlGaN
alloys) for the mass production and fabrication of high-frequency and high-power devices relies on metal-organic chemical vapor deposition (MOCVD) using metal-organic molecules, also called precursors. While this growth method ensures high productivity and low operation costs compared to other methods, its most significant disadvantage lies in the presence of carbon atoms in the precursors, which are unavoidably incorporated into the epitaxial layers and hamper the performance of most types of fabricated devices. Carbon-free precursors for the CVD process could enhance the performance of high-frequency and high-power nitride-based devices while maintaining growth capability in industrial equipment. In this work, we implement gallium- and aluminum-brominated precursors, which contain no carbon atoms, to grow GaN and AlN layers in an industrial CVD system. We compare the results of this alternative CVD process with the conventional method using trimethyl precursors through several characterization techniques, indicating a clear reduction in optically active carbon-related defects.
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All authors Stefano Leone, Teresa Duarte, Hanspeter Menner, Jannik Richter, Lutz Kirste, Sven Maegdefessel, Felix Hoffmann, Byeongchan So, Ruediger Quay
Soft Condensed Matter · Cross-listed from physics.flu-dyn
Concentration Matters: Enhancing Particle Settling in Narrow Tilted Channels
Dipankar Kundu, Florencio Balboa Usabiaga, Adolfo Vázquez-Quesada et al. (+1 more)
Particles are known to sediment faster in containers with tilted walls than in vertical ones, a phenomenon known as the Boycott effect. In this work, we investigate how the tilt angle influences sedimentation in narrow channels across different particle volume fractions. Using particle-resolved computational fluid dynamics simulations, we reveal that there exists a concentration-dependent optimal tilt angle that maximizes sedimentation rates. Furthermore, at large tilt angles, the flow profiles across the channel deviate from the classical
parabolic shape. We show that these non-
parabolic profiles can be accurately captured by a one-dimensional Brinkman model, providing a predictive framework for understanding and tuning sedimentation in tilted geometries. Our findings demonstrate the potential to control and optimize particle settling by adjusting the channel tilt according to particle concentration, opening new possibilities for design in industrial and laboratory processes.
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All authors Dipankar Kundu, Florencio Balboa Usabiaga, Adolfo Vázquez-Quesada, Marco Ellero
Statistical Mechanics · Cross-listed from cs.LG
Hierarchical geometric deep learning enables scalable analysis of molecular dynamics
Zihan Pengmei, Spencer C. Guo, Chatipat Lorpaiboon et al. (+1 more)
Molecular dynamics simulations can generate atomically detailed trajectories of complex systems, but analyzing these dynamics can be challenging when systems lack well-established quantitative descriptors (features). Graph neural networks (GNNs) in which messages are passed between nodes that represent atoms that are spatial neighbors promise to obviate manual feature engineering, but the use of GNNs with biomolecular systems of more than a few hundred residues has been limited in the context of analyzing dynamics by both difficulties in capturing the details of long-range interactions with message passing and the
memory and runtime requirements associated with large graphs. Here, we show how local information can be aggregated to reduce
memory and runtime requirements without sacrificing atomic detail. We demonstrate that this approach opens the door to analyzing simulations of
protein-nucleic acid complexes with thousands of residues on single GPUs within minutes. For systems with hundreds of residues, for which there are sufficient data to make quantitative comparisons, we show that the approach improves performance and interpretability.
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All authors Zihan Pengmei, Spencer C. Guo, Chatipat Lorpaiboon, Aaron R. Dinner
Disordered Systems and Neural Networks
Statistical physics for artificial neural networks
Zongrui Pei
The 2024 Nobel Prize in Physics was awarded for pioneering contributions at the intersection of artificial neural networks (ANNs) and
spin-glass physics, underscoring the profound connections between these fields. The topological similarities between ANNs and Ising-type models, such as the Sherrington-Kirkpatrick model, reveal shared structures that bridge statistical physics and machine learning. In this perspective, we explore how concepts and methods from statistical physics, particularly those related to glassy and disordered systems like
spin glasses, are applied to the study and development of ANNs. We discuss the key differences, common features, and deep interconnections between
spin glasses and neural networks while highlighting future directions for this interdisciplinary research. Special
attention is given to the synergy between
spin-glass studies and neural network advancements and the challenges that remain in statistical physics for ANNs. Finally, we examine the transformative role that
quantum computing could play in addressing these challenges and propelling this research frontier forward.
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Materials Science
Sita Dugu, Sharad Mahatara, Corlyn E Regier et al. (+4 more)
Antiperovskite nitrides with the general formula M$_3$N have attracted significant
attention due to their tunable electronic and
magnetic properties. Among them are many cobalt-based compounds predicted to exhibit high thermodynamic stability and intriguing
magnetic behavior. Here, we report the synthesis and
magnetic characterization of epitaxial Co$_3$ZnN thin films grown by
radio frequency sputtering on SrTiO$_3$ (STO) and MgO substrates. X-ray diffraction confirms phase-pure (00l)-oriented films with cube-on-cube epitaxy on STO, with a c-
lattice parameter of 3.752 angstroms.
Magnetic measurements reveal clear hysteresis at 2 K with a coercive field of ~ 0.12 T and a small net moment of 0.11 ${\mu}_B$/f.u., suggesting either a canted
antiferromagnetic (AFM) or ferrimagnetic (FiM) configuration. Temperature-dependent magnetization measurements show a transition near 25 K, with strong AFM interactions (Curie-Weiss $\Theta$ = -80.6 K) at high temperatures and short-range
ferromagnetic correlations ($\Theta$ = +9.7 K) emerging near the transition. Complementary density functional theory (DFT) and Monte Carlo simulations indicate a
ferromagnetic (FM) ground state, with the FM-AFM energy difference decreasing systematically with increasing supercell size, consistent with competition between FM and AFM/FiM interactions. These results highlight Co$_3$ZnN as a magnetically complex antiperovskite nitride with competing exchange interactions.
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All authors Sita Dugu, Sharad Mahatara, Corlyn E Regier, James R Neilson, Stephan Lany, Rebecca W. Smaha, Sage R Bauers
Statistical Mechanics
Convective Viscous Cahn-Hilliard/Allen-Cahn Equation with memory effects
P.O.Mchedlov-Petrosyan and L.N.Davydov
The combination of the well-known Cahn-Hilliard and Allen-Cahn equations is used to describe surface processes, such as simultaneous adsorption/desorption and surface
diffusion. In the present paper we have considered the convective-viscous Cahn-Hilliard/Allen-Cahn equation complemented by
memory effects. Exact solutions are obtained and the combined action of the applied field, dissipation and
memory are discussed.
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Materials Science · Cross-listed from physics.optics
Giant optical anisotropy and visible-frequency epsilon-near-zero in hyperbolic van der Waals MoOCl2
Georgy Ermolaev, Adilet Toksumakov, Aleksandr Slavich et al. (+13 more)
The realization of extreme optical anisotropy is foundational to nanoscale light manipulation. Van der Waals (vdW)
crystal MoOCl2 has emerged as a promising candidate for this quest, hosting
hyperbolic plasmon polaritons in the visible and near-infrared wavelengths. However, the fundamental anisotropic dielectric tensor governing this behavior has remained elusive. Here, we resolve this problem by providing the first experimental determination of the full dielectric tensor of
hyperbolic vdW MoOCl2. Via spectroscopic ellipsometry, Mueller
matrix, and reflectance measurements, we quantify the material's optical duality: a metallic optical response ({\epsilon}_1 < 0) along the crystallographic a-axis and a dielectric response ({\epsilon}_1 > 0) along the orthogonal directions. This dichotomy drives an epsilon-near-zero (ENZ) condition at \approx 512 nm and results in
giant in-plane birefringence of \delta n \approx 2.2 for MoOCl2. As a result, our work provides the critical missing experimental parameters for MoOCl2, establishing it as a
benchmark hyperbolic and ENZ material.
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All authors Georgy Ermolaev, Adilet Toksumakov, Aleksandr Slavich, Anton Minnekhanov, Gleb Tselikov, Arslan Mazitov, Ivan Kruglov, Gleb Tikhonowski, Mikhail Mironov, Ilya Radko, Dmitriy Grudinin, Andrey Vyshnevyy, Zdeněk Sofer, Aleksey Arsenin, Kostya S. Novoselov, Valentyn Volkov
Mesoscale and Nanoscale Physics
Topological Defect Mediated Helical Phase Reorientation by Uniaxial Stress
Tae-Hoon Kim, Haijun Zhao, Brandt A. Jensen et al. (+2 more)
Strain engineering enables precise, energy-efficient control of nanoscale magnetism. However, unlike well-studied strain-dislocation interactions in mechanical deformation, the spatial
evolution of strain-induced
spin rearrangement remains poorly understood. Using in situ Lorentz transmission electron microscopy, we manipulate and observe helical domain reorientation under quantitatively applied uniaxial tensile stress. Our findings reveal striking similarity to plastic deformation in metals, where the critical stress for propagation vector (\emph{Q}) reorientation depends on its angle with the stress direction.
Magnetic defects mediate reorientation via "break-and-reconnect" or "dislocation gliding-annihilation" processes. Simulations confirm that strain-induced anisotropic Dzyaloshinskii-Moriya interaction may play a key role. These insights advance strain-driven magnetism and offer a promising route for energy-efficient
magnetic nanophase control in next-generation information technology.
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All authors Tae-Hoon Kim, Haijun Zhao, Brandt A. Jensen, Liqin Ke, Lin Zhou
Superconductivity
Robust Superconductivity and High Upper Critical Fields in Epitaxial cubic W2N Thin Films
Aditya Singh, Arnaud le Febvrier, Sanath Kumar Honnali et al. (+5 more)
Transition Metal Nitrides are a versatile class of materials, combining chemical robustness, high hardness, and superconducting behaviour with critical temperatures between 2 to 10 K. While several binary TMNs have been explored, superconductivity in stoichiometric W2N has remained largely unexplored. Here, we report on superconducting thin films of stoichiometric W2N, demonstrating a distinctly high upper critical field of 8.5 T, uncommon among binary TMNs. This robust superconducting response under high
magnetic fields highlights the technological relevance of W2N for integrated
quantum and cryogenic electronic platforms. Overall, these results position stoichiometric W2N as a promising addition to the TMN superconducting landscape, opening new avenues for functional materials design based on chemically stable and mechanically resilient nitrides.
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All authors Aditya Singh, Arnaud le Febvrier, Sanath Kumar Honnali, Abhisek Mishra, Grzegorz Greczynski, Subhankar Bedanta, Per Eklund, Ajay Soni
Mesoscale and Nanoscale Physics
Phase-Factor-Controlled Surface Spirals in the Magnetic Conical Phase: The Role of In-Plane Directionality
Haijun Zhao, Tae-Hoon Kim, Lin Zhou et al. (+1 more)
In
chiral magnets, the
magnetic textures surrounding domain walls exhibit a rich variety of structures, offering insights into fundamental physics and potential applications in spintronic devices. Conical spirals and related structures possess intrinsic in-plane directionalities governed by phase factors $\phi_0$, which are often obscured in long spirals due to cylindrical
symmetry but become prominent in short spirals or thin films. Using micromagnetic simulations, we systematically studied
magnetic textures at
ferromagnetic-conical interfaces (FCI), including 1D and 2D FCIs with various shapes. Surface spirals (SS) emerge adjacent to these FCIs, closely linked to the cone's in-plane reorientation. In 1D FCIs, reorientation controls the presence, shape, and topological charge of the SS, with a discontinuity point observed where spirals with opposite charges form on opposite sides. In 2D FCIs, eyebrow-like SS are evident. The reorientation angle between top and bottom SS is controlled by the film thickness, similar to stacked spirals reported previously. We further demonstrate that SSs form at the facets of skyrmion clusters within the conical phase, as confirmed by both simulations and Lorentz transmission electron microscopy observations in Co$_8$Zn$_{10}$Mn$_2$ thin films. The experiments specifically reveal two distinct formation pathways: thermally activated co-growth and field-driven transformation from residual helices. These findings establish $\phi_0$ as a fundamental control parameter for
magnetic states, enabling promising spintronic functionalities such as multi-state
memory through SS polymorphism and energy-efficient neuromorphic computing via controlled topological transitions.
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All authors Haijun Zhao, Tae-Hoon Kim, Lin Zhou, Liqin Ke
Other Condensed Matter
Moiré pattern multiplicity driven by electronic effects in two-dimensional CrCl3/Au heterostructures
Eugenio Gambari, Hugo Le Du, Mathieu Lizée et al. (+7 more)
Moiré patterns are a central motif in van der Waals
heterostructures arising from the superposition of two-dimensional (2D) incommensurate
lattices. These patterns reveal a wealth of correlated effects, influencing electronic,
magnetic, and structural phenomena. While diffraction techniques typically resolve multiple moiré wave-vectors corresponding to the incommensurate nature of the underlying
lattices, Scanning Tunneling Microscopy (STM) often reveals only a dominant superperiod. In this work, we address this apparent discrepancy through an STM study of a twisted monolayer of CrCl3 on Au(111). We observe the coexistence of several moiré patterns at a fixed twist angle, whose relative intensity depends on the tunneling bias.
Fourier analysis of STM data uncovers hidden higher-order moiré components not visible in STM topographic images, while spectroscopy maps reveal that the spectral weight of each pattern varies with electron energy. Our results establish that STM selectively probes on the same area distinct moiré modulations depending on electronic confinement, providing a unified framework that reconciles real space and reciprocal space observations of complex moiré superstructures.
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All authors Eugenio Gambari, Hugo Le Du, Mathieu Lizée, Arindam Mukherjee, Laurent Limot, Fabrice Scheurer, Marie D'angelo, François Debontridder, Tristan Cren, Marie Hervé
Mesoscale and Nanoscale Physics
Odd viscosity and anomalous Hall effect in two dimensional electron systems with smooth disorder
D.S. Zohrabyan and M.M. Glazov
A microscopic theory of odd viscosity in two-dimensional electron systems with smooth disorder and
spin-orbit interaction is developed. It is shown that
spin-orbit scattering in presence of
spin polarization induced by
magnetic field gives rise to an off-diagonal component of the viscosity tensor. Hydrodynamic equations for
spin and electric currents are derived for electrons interacting with smooth disorder. The contribution of odd viscosity to the anomalous
Hall effect is calculated.
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Statistical Mechanics
Thermodynamic description of world GDP distribution over countries
Klaus M. Frahm and Dima L. Shepelyansky
We apply the concept of Rayleigh-Jeans thermalization of classical fields for a description of the world Gross Domestic Product (GDP) distribution over countries. The thermalization appears due to a variety of interactions between countries with conservation of two integrals being total GDP and probability (norm). In such a case there is an emergence of Rayleigh-Jeans condensation at states with low GDP. This phenomenon has been studied theoretically and experimentally in multimode optical fibers and we argue that it is at the origin of emergence of poverty and oligarchic phases for GDP of countries. A similar phenomenon has been discussed recently in the framework of the Wealth Thermalization Hypothesis to explain the high inequality of wealth distribution in human society and companies at Stock Exchange
markets. We show that the Rayleigh-Jeans thermalization well describes the GDP distribution during the last 50 years.
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Materials Science
Robust and tunable Floquet altermagnets in sliding A-type antiferromagnetic bilayers
Zhe Li, Lijuan Li, Mengxue Guan et al. (+1 more)
Arranging the stacking orders of A-type
antiferromagnetic (A-AFM)
bilayers offers a practical pathway to realizing two-dimensional altermagnets. Previous proposals, however, rely on stringent
symmetry constraints, including layer groups and stacking registries. In this work, we demonstrate that circularly polarized light (CPL) irradiation breaks time-reversal
symmetry, enabling altermagnetism without these restrictions. Our comprehensive
symmetry analysis reveals that inversionsymmetric A-AFM
bilayer building blocks can host altermagnetism that is robust against stacking slides and variations in illumination direction, with rich and continuously tunable
symmetry representations. Using
bilayer MnBi$_2$Te$_4$ as a case study, we show that out-of-plane CPL stabilizes distinct $f$-wave or $p$-wave altermagnetic states in forward stacking, while reverse stacking manifests an even-odd parity conversion of altermagnetism based upon specific sliding configurations. These revealments broaden the scope of altermagnet design in inversion-symmetric A-AFM
bilayers and establish CPL as a versatile control knob for engineering altermagnetic
symmetries.
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All authors Zhe Li, Lijuan Li, Mengxue Guan, Sheng Meng
Mesoscale and Nanoscale Physics
Interface controlled Berry phase and anisotropic spin-charge conversion in altermagnet-topological insulator bilayers
Juhi Singh and Narayan Mohanta
We propose an altermagnet-topological
insulator bilayer as a platform to engineer Berry phase driven
spin-charge responses using an interfacial buffer layer. Using a momentum-space
lattice model and linear-response theory, we investigate a $d$-wave altermagnet coupled to a topological
insulator and highlight the crucial role of
spin-flip tunneling in shaping its electronic and transport properties. Interfacial hybridization strongly modifies the band structure, leading to anisotropic Rashba-Edelstein and
Hall responses. The
spin-flip component of the coupling induces an inverse $d$-wave
spin texture in the altermagnetic bands, signaling the onset of an altermagnetic topological phase. This coupling also renders the Rashba-Edelstein effect strongly in-plane anisotropic, enhancing the transverse response relative to
ferromagnetic or
antiferromagnetic analogues. These results establish interfacial
spin-flip tunneling as a practical control knob for direction-sensitive, stray-field-free
spin-charge conversion in correlated topological
heterostructures.
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Materials Science · Cross-listed from cs.AI
GENIUS: An Agentic AI Framework for Autonomous Design and Execution of Simulation Protocols
Mohammad Soleymanibrojeni, Roland Aydin, Diego Guedes-Sobrinho et al. (+4 more)
Predictive atomistic simulations have propelled materials discovery, yet routine setup and debugging still demand computer specialists. This know-how gap limits Integrated Computational Materials Engineering (ICME), where state-of-the-art codes exist but remain cumbersome for non-experts. We address this bottleneck with GENIUS, an AI-agentic workflow that fuses a smart
Quantum ESPRESSO knowledge graph with a tiered hierarchy of large
language models supervised by a finite-state error-recovery machine. Here we show that GENIUS translates free-form human-generated
prompts into validated input files that run to completion on $\approx$80% of 295 diverse
benchmarks, where 76% are autonomously repaired, with success decaying exponentially to a 7% baseline. Compared with LLM-only baselines, GENIUS halves inference costs and virtually eliminates
hallucinations. The framework democratizes electronic-structure DFT simulations by intelligently automating protocol generation, validation, and repair, opening large-scale screening and accelerating ICME design loops across academia and industry worldwide.
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All authors Mohammad Soleymanibrojeni, Roland Aydin, Diego Guedes-Sobrinho, Alexandre C. Dias, Maurício J. Piotrowski, Wolfgang Wenzel, Celso Ricardo Caldeira Rêgo