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Physics Condensed Matter

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Tuesday 7 April

Other Condensed Matter · Cross-listed from physics.optics

Multistability of a chiral semiconductor microcavity: a self-consistent approach

We calculate the effects of polariton bi- and multistability in a semiconductor Bragg microcavity with multiple quantum wells and a chiral photonic crystal on the upper mirror for resonant coherent pumping normal to the structure. Even if the system is not optimized for obtaining photoluminescence with a high degree of circular polarization in the spontaneous mode, it is shown that linear-polarized pumping can cause nonlinear switching to states with a degree of circular polarization of polaritons up to 90%. Calculations were performed in both the mean-field and self-consistent approximations, accounting for the difference in exciton density among the microcavity's quantum wells.
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Strongly Correlated Electrons

Quantum phases in the interacting generalized Su-Schrieffer-Heeger model

We investigate the quantum phases of a half-filled generalized interacting Su-Schrieffer-Heeger model with intracell, nearest-neighbor, and next-nearest-neighbor intercell hoppings, together with an on-site inter-sublattice interaction. In the noninteracting limit, the model hosts one topologically trivial phase and two symmetry-protected topological (SPT) phases, distinguished under periodic boundary conditions by different winding numbers and under open boundary conditions by two-fold and four-fold entanglement-spectrum degeneracies, respectively. When interactions are introduced, these free-fermion SPT phases evolve into distinct interacting topological phases that retain characteristic signatures such as entanglement-spectrum degeneracy structures, boundary modes, and nonzero string order parameters. For strong repulsive interactions, a symmetry-breaking phase with unequal but spatially uniform sublattice densities appears between the trivial and topological regimes. For strong attractive interactions, period-2 and period-4 charge-density-wave phases emerge from particle clustering. At intermediate attractive interactions, the competition between interaction-induced localization and hopping-induced delocalization gives rise to a Luttinger liquid phase, a paired Luttinger liquid phase, and a gapless symmetry-protected topological (gSPT) phase. The gSPT phase is characterized by a gapless charge mode together with symmetry-protected current-carrying edge states. We further characterize the gapless phases and the associated quantum phase transitions through central charges and critical exponents.
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All authors Jing-Hua Niu, Jia-Lin Liu, Ke Wang, Shan-Wen Tsai, Jin Zhang

Soft Condensed Matter

Hydrodynamic Switching Fronts Polarize Deformable Particle Trains

We show that propagating switching fronts mediate directional state transmission and polarity selection in a passive many-body suspension. In confined trains of slipper-shaped deformable particles in Poiseuille flow, this behavior originates from directionally biased switching between neighboring particles: owing to the fore-aft asymmetry of the slipper, an upstream particle drives switching of its downstream neighbor more effectively than in the reverse direction. A local transition from an opposite-sign pair to a same-sign pair therefore launches a streamwise front that relays the inclination sign from particle to particle. A minimal coarse-grained model with local bistability and directional coupling captures front propagation and arrest. In periodic trains, the fronts coarsen into a uniformly polarized state, whereas in long open trains they arrest and leave persistent polarized domains. Our results point to local bistability and directional coupling as a route to collective polarization in passive many-body systems.
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All authors Linzheng Huang, Hengdi Zhang, Zaicheng Zhang, Zaiyi Shen

Materials Science · Cross-listed from physics.chem-ph

Reference Energies for Non-Relativistic Core Ionization Potentials

Deep-lying core electrons carry highly localized, site-specific information that forms the basis of X-ray photoelectron spectroscopy. Accurately predicting their associated core ionization potentials (IPs) is a demanding theoretical task, requiring a balanced treatment of strong orbital relaxation, electron correlation, and relativistic effects. Over the years, a variety of approaches have been developed, ranging from state-specific wave function methods to linear-response formalisms and Green's function techniques. However, their assessment has often relied on comparisons with experiment, where multiple sources of error (basis set incompleteness, relativistic corrections, and vibrational effects) are entangled, making it difficult to isolate the performance of correlation treatments. In the present work, we establish a consistent, theory-based benchmark for core IPs by computing 84 non-relativistic values (73 second-row and 11 third-row IPs) at the full configuration interaction level within the core-valence separation approximation, using large correlation-consistent basis sets augmented with tight-core and diffuse functions (aug-cc-pCVXZ). These results define theoretical best estimates within a fixed finite basis set, providing a chemically accurate reference for method development and validation. Importantly, our dataset allows for systematic, theory-versus-theory comparisons that disentangle correlation and relaxation effects from other physical contributions. On this basis, we assess the performance of widely used approximate methods, including equation-of-motion coupled-cluster approaches up to the inclusion of quadruple excitations, the one-shot $G_0W_0$ scheme, as well as state-specific methods.
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Soft Condensed Matter

Long distance attraction between particles in a soap film

Millimeter-sized particles trapped at the surface of a liquid bath attract each other through the deformation of the liquid-air interface, a phenomenon known as "the Cheerios effect". We consider here a situation similar at first sight: the interaction between two millimeter-sized particles trapped in an horizontal soap film. In this geometry, the deformation of the film due to the weight of one particle extends over the entire system size, which induces an extremely long-ranged attraction. Combined with the low viscous friction in the film, this leads to intricate particle orbits, lasting up to ten seconds before the two particles eventually collide. By tracking the particles dynamics, we measure the force exerted by each particle on the other, and we develop a theoretical model. Because the interface deformation induced by a particle depends on its position in the soap film, the attractive force has two features that fundamentally depart from classical interaction forces. The force exerted by one particle on the other differs both in direction and magnitude from the reverse interaction, with an asymmetry reaching 150% when one particle is close to the center and the other one close to the frame. Reciprocity is recovered when both particles are close to the film center. These results are a original example of non-reciprocal effective interactions due to boundary conditions.
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All authors Youna Louyer, Megan Delens, Nicolas Vandewalle, Benjamin Dollet, Isabelle Cantat, Anaïs Gauthier

Mesoscale and Nanoscale Physics · Cross-listed from quant-ph

Quantum advantage in transfer of quantum states

Quantum advantage, broadly understood as the ability of quantum systems to significantly outperform their classical counterparts, underpins current interest to quantum technologies and is a topic of active investigation. In many situations, its existence is subject to debate, and the areas of supremacy of large-scale quantum systems are not well defined. Here, we uncover a novel niche where quantum advantage can be clearly defined and proven. We study a time-optimal transfer of excitations in the lattice involving both nearest-neighbor and longer-range couplings. We prove that the quantum-mechanical property of a particle to propagate along several trajectories simultaneously speeds up the transfer process, which takes a shorter time compared to any particular trajectory and thus provides a clear example of quantum advantage.
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Soft Condensed Matter

Emergent Rotation of Passive Clusters in a Chiral Active Bath

We investigate the dynamics of passive particles immersed in a bath of chiral active particles, focusing on the emergence of collective rotational motion. Using numerical simulations, we show that passive particles aggregate into clusters that can exhibit persistent rotation within a well-defined regime of size ratio and active particle packing fraction. This rotational state is characterized by the coexistence of internal structural order, enhanced shape fluctuations, and a coherent net torque generated by the surrounding active bath. Outside this regime, the dynamics remain predominantly diffusive, highlighting that sustained rotation is not ubiquitous but arises from a delicate interplay between geometry, activity, and chirality. Furthermore, we demonstrate that chirality heterogeneity disrupts rotational coherence, while a uniform chiral bath promotes strongly superdiffusive angular dynamics. These results provide new insights into the role of chirality and collective interactions in shaping the emergent behavior of active-passive mixtures.
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Soft Condensed Matter

Diffusion from particle-coated drops: the subtle role of particle size

Many natural and industrial systems involve particle-laden interfaces. Because interfacial particles prevent the coalescence and coarsening of drops, they hold promise for various applications requiring stable emulsions. Despite their remarkable ability to stabilize emulsions, it remains challenging to characterize how particles influence the interfacial transport of dissolved solutes. Here, we quantify the diffusion from a single particle-coated drop by confining it to a two-dimensional configuration. Using fluorescence microscopy, we extract the intensity profiles of the fluorescent dye as it diffuses from the drop, yielding spatio-temporal measurements of the concentration field. Over a range of particle sizes, the particles impose minimal resistance to diffusion. We rationalize this counterintuitive result with a mathematical model that couples interfacial mass transfer to a particle-coated interface. We show that the particle monolayer controls the temporal dynamics of the flux across the interface, hindering transport only at extreme coverage fractions beyond the close-packing limit. This framework reveals why particles often fail to hinder diffusion, offering new pathways to harness mass transfer in particle-stabilized emulsions.
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All authors Alexandros T. Oratis, Matteo Camagna, Timo J.J.M. van Overveld, Valeria Garbin

Materials Science

ALD Zinc Tin Oxide Buffers for Chalcopyrite Solar Cells: Electrical Barriers and Conduction Band Cliffs

Sulfide chalcopyrite, Cu(In,Ga)S2, having wide bandgap (larger than 1.5 eV), favorable optoelectronic properties, and high stability, is a promising top-cell absorber for tandem applications. Adapting device structures optimized for 1.0 - 1.2 eV absorbers to wide bandgap absorbers requires modification of the buffer layer. This work investigates atomic layer deposition of ZnSnO as an alternative buffer layer to conventional CdS. A critical parameter for bufferperformance is the conduction band offsets on both sides of the buffer. To investigate these buffers we electrically characterize solar cells utilizing different compositions of ZnSnO. The Sn/(Sn+Zn) atomic ratio is controlled by the ratio of ZnO to SnO cycles during atomic layer deposition. Solar cells were fabricated utilizing CuInSe2, Cu(In,Ga)Se2, and Cu(In,Ga)S2 absorbers, allowing cross-comparison with a variety of conduction band minimum energies. Buffer variation has two primary effects on cell performance: 1. Low tin buffers decrease the activation energy of interface recombination, reducing open circuit voltage. These observations indicates a cliff, a decrease of the conduction band minimum from absorber to buffer. 2. High tin buffers reduce the fill factor for all measured cells, and reduce the short circuit current under certain conditions. This observation indicates an electron transport barrier, conduction band offsets which limit the transport of electrons across the buffer, in either direction. We conclude that tin content correlates positively with the conduction band minimum of these buffers. Comparing different absorbers, cliffs occurs at lower Sn contents and the effects of barriers are more dramatic for absorbers with lower conduction band minima.
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All authors Boaz Koren, Francesco Lodola, Zhuangyi Zhou, Trong Tien Le, Kulwinder Kaur, Simon Backes, Michele Melchiorre, Susanne Siebentritt

Mesoscale and Nanoscale Physics · Cross-listed from hep-th

Edge modes in Chern-Simons theory on a strip

We investigate abelian Chern-Simons gauge theory on a strip geometry with two spatial boundaries. In the presence of boundaries, gauge invariance is broken by boundary conditions, leading to physical edge excitations. By deriving the most general local boundary conditions consistent with power counting in the sense of Symanzik, we show that the bulk equations of motion determine the boundary degrees of freedom through a broken gauge Ward identity, yielding boundary Kac-Moody current algebras with opposite central charges on the two edges. The corresponding two-dimensional boundary actions are of Tomonaga-Luttinger type and describe chiral bosons propagating in opposite directions along the two boundaries. A consistency condition, interpreted as a holographic-like bulk-boundary matching, relates the Chern-Simons coupling constant and the boundary parameters to the physical edge velocities. Within this framework, the equality and opposite sign of the two velocities in a symmetric setup follow directly from the boundary structure rather than from model-dependent assumptions about confining potentials, and the velocities are independent of the strip width. Our analysis provides a fully field-theoretic realization of bulk-boundary correspondence in Chern-Simons theory with two boundaries, with direct applications to edge physics in quantum Hall systems and related topological/hydrodynamic settings.
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All authors Erica Bertolini, Michael Doyle, Nicola Maggiore, Conor Murphy, Carlotta Piras

Materials Science

Additive-Induced Stabilization of the Energetic Landscape of PM6:Y12 Organic Solar Cells

Solvent additive engineering is a common strategy in organic photovoltaic (OPV) fabrication to improve film morphology and enhance device performance by controlling phase-separation kinetics and crystallinity. However, its effect on photostability, particularly with respect to the evolution of the energetic landscape under operational stress, remains unclear. This study investigates the impact of the additive 1-chloronaphthalene (1-CN) on the evolution of the device's energetic landscape in PM6:Y12 bulk heterojunction organic solar cells upon photoaging. Ultraviolet photoemission spectroscopy combined with argon gas cluster ion beam depth profiling is employed to probe the depth-resolved evolution of donor (PM6) and acceptor (Y12) energy levels before and after photodegradation. Our findings show that in additive-free devices, photodegradation leads to a significant 200 meV downward shift in the PM6 highest occupied molecular orbital (HOMO) level, reducing the donor-acceptor HOMO offset and impairing the driving force for hole transfer. As a consequence, the device experiences substantial efficiency loss. On the other hand, the incorporation of 1-CN effectively stabilizes the PM6 HOMO level, preserving adequate driving force for efficient exciton dissociation. Advanced X-ray diffraction characterization reveals more pronounced nanostructural degradation in blends without 1-CN than those with 1-CN upon photoaging. Collectively, these findings identify PM6 as the primary degradation pathway in PM6:Y12 blends and demonstrate that 1-CN enhances device stability by stabilizing PM6 energetics and preserving the nanostructural integrity upon photoaging.
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All authors Bekcy Joseph, Shivam Singh, Nathaniel P. Gallop, Fabian Eller, Alexander Ehm, Julius Brunner, Dietrich R. T. Zahn, Eva Herzig, Boris Rivkin, Yana Vaynzof

Soft Condensed Matter

Collective spatial reorganization from arrest to peeling and migration through density-dependent mobility in internal-state coordinates

Numerous problems in development, regeneration, and disease involve simultaneous evolution of both spatial organization and the internal state of the constituents in addition to local interactions and crowding. This motivates us to study a minimal model for interacting populations evolving in coupled spatial and internal-state coordinates. We focus on a specific transition of particular biological interest: the reorganization of dense collectives from compact or arrested states toward boundary-led peeling and migration. In our formulation, each particle carries a spatial position and a scalar internal state, and interacts through finite-range forces. Mobilities are defined on both spatial and internal-state coordinates with a density dependence, and are asymmetrically cross-coupled. We derive update equations for stochastic dynamics in the overdamped limit and perform numerical simulations. We find that mobility in internal-state coordinates alone provides an independent control axis for large-scale spatial reorganization. In particular, increasing the baseline internal-state diffusivity and tuning its density dependence drives a transition from arrested aggregates to a peeling-like regime with broad spatial excursions, strong outward radial bias, and edge-localized activity, while the baseline positional diffusivity is held fixed. The transition is accompanied by correlated broadening of spatial and internal-state displacements, systematic reorganization of radial density and density-curvature profiles, and a pronounced dependence on system size, consistent with the idea that growing aggregates can cross into a boundary-dominated migratory state. These results establish the utility of our approach and motivate a broader framework aimed at modeling state change, spatial redistribution, and neighborhood structure within a common formalism.
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Materials Science

Loss analysis of Low Bandgap (Ag,Cu)(In,Ga)Se2 Solar Cells for Tandem Applications

Tandem solar cells can better harness the energy of the solar spectrum. Chalcopyrite solar cells have drawn attention, being the only highly efficient devices with bandgap around 1.0 eV, suitable for bottom cells. In the quest for better efficiencies, we conduct a complete loss analysis of 1.0 eV bandgap (Ag,Cu)(In,Ga)Se2 cells with efficiencies around 18.5%. We perform absolute photoluminescence, electroluminescence, JV and EQE measurements on the absorber and the finished cells to analyze losses of short-circuit current, open-circuit voltage and fill factor. The relevant losses in current are due to absorption losses in the absorber and could only be mitigated by light management structures. But the most significant losses are found in the voltage, due to non-radiative recombination in the absorber, and the fill factor, due to a high diode factor. The diode factor of the cells is significantly higher than in the absorber alone, indicating a strong influence of recombination in the space charge region.
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All authors Francesco Lodola, Sevan Gharabeiki, Maximilian Krause, Shiro Nishiwaki, Romain Carron, Susanne Siebentritt

Statistical Mechanics

Generalized hydrodynamics of free fermions under extensive-charge monitoring

We study transport dynamics of free fermions subject to the external monitoring of a conserved charge over an extensive region. Focusing on bipartition protocols, we consider monitoring the total particle number over half of the system, and study the profiles of local charges and currents at hydrodynamic scales. While the Lindbladian describing the averaged dynamics is non-local, we show that the profiles can be understood in terms of localized impurities. We present a general framework based on the generalized hydrodynamics (GHD) picture, allowing for a hybrid numerical-analytic solution of the quench dynamics at hydrodynamic scales. We illustrate our approach for domain-wall initial states, showing that monitoring leads to discontinuities in the profiles that become more pronounced as the rate increases and that lead to the absence of transport in the Zeno limit of infinite monitoring rates. Our GHD framework could be naturally extended to interacting systems, paving the way for a systematic study of transport of integrable models subject to extensive-charge measurements.
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Materials Science

Near 13% efficient semitransparent Cu(In,Ga)S2 solar cells with band gap of 1.6 eV on transparent back contact

Wide-gap Cu(In,Ga)S2 solar cells with In2O3:Sn (ITO) as transparent back contact are evaluated for the application as top cells in tandem devices. The effect of Na on the solar cell performance is investigated by supplying additional Na by NaF co-evaporation or exclusively by Na diffusion from glass. An efficiency of 12.7% is achieved for a semitransparent solar cell with a band gap of 1.6 eV, with sufficient Na diffusion from glass only, allowed by a thin ITO layer. Absorber grown with additional NaF co-evaporation during Cu(In,Ga)S2 growth on thicker ITO show a comparable efficiency of 12%. High temperature growth at Tsub = 630{\deg}C enhances overall absorber quality and results in wide-gap absorbers, with photoluminescence quantum yield improved to 1.5 x 10-5, two orders of magnitude higher than absorber grown at low temperature. NaF co-evaporation is effective in suppressing deep defects, thereby reducing non-radiative recombination and enhancing photoluminescence quantum yield further. A GaOx interfacial layer is formed at the rear contact, likely contributing to the passivation of the back contact. With the presence of thick GaOx layer, current blocking effects are visible in the current-voltage curves. On the contrary, a thinner ITO tends to result in thinner GaOx layer and no current blocking is observed.
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All authors Kulwinder Kaur, Arivazhagan Valluvar Oli, Michele Melchiorre, Wolfram Hempel, Wolfram Witte, Jan Keller, Susanne Siebentritt

Materials Science · Cross-listed from physics.acc-ph

Introduction to Mechanics and Structures

This work provides a comprehensive overview of the fundamental concepts in continuum mechanics, focusing on the behaviour of materials under mechanical loads. It discusses the distinction between elastic and plastic, highlighting their atomic origins and macroscopic implications. Elastic behaviour is examined via Hooke's law and constitutive matrices, while plasticity is treated through yield surfaces, flow rules, and hardening laws, including isotropic and kinematic hardening. In addition, the theoretical foundations and design principles of pressure vessels and thin axisymmetric shells, focusing on their mechanical behaviour under internal or external pressure, is discussed. The analysis is based on shell theory, assuming thin walls and axisymmetric geometry, which simplifies the stress distribution into membrane stresses. The work also addresses buckling phenomena under external pressure, secondary stresses at geometric discontinuities, and design provisions from the EN 13445 standard.
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Mesoscale and Nanoscale Physics

Optically induced thermal demagnetization and switching of antiferromagnetic domains in NiO and CoO thin films

We demonstrate all-optical manipulation of magnetic domains in NiO/Pt and CoO/Pt thin films with insulating antiferromagnetic layers. Using magneto-optical birefringence imaging, we show that even a single laser pulse can thermally demagnetize the antiferromagnet, leading to a random redistribution of domains. By sweeping the laser beam, controlled domain wall motion is induced, enabling partial switching of the antiferromagnetic order. The behavior is captured by an analytical model in which temperature gradients generated by the moving beam exert a thermal pressure on domain walls in the form of a ponderomotive force. Importantly, the 90$^{\circ}$ domains can be reversibly toggled solely by reversing the direction of the thermal gradient, demonstrating all-optical switching without the need for electric currents. These findings establish a route toward ultrafast optical manipulation of fully compensated antiferromagnets, with potential impact on non-volatile memory technologies and antiferromagnetic spintronics.
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All authors Maciej Dąbrowski, Tong Wu, Connor R. J. Sait, Jia Xu, Paul S. Keatley, Yizheng Wu, Robert J. Hicken, Olena Gomonay

Mesoscale and Nanoscale Physics

Interband optical conductivities in two-dimensional tilted Dirac bands revisited within the tight-binding model

Within the framework of linear response theory, we theoretically investigated the interband longitudinal optical conductivities (LOCs) in two-dimensional (2D) tilted Dirac bands using a tight-binding (TB) model, incorporating the effects of band tilting and Dirac-point shifting. We identified three characteristic critical frequencies in the interband LOCs of the TB model: the partner frequencies, the sharp- peak frequency, and the cutoff frequency. In contrast to conventional critical frequencies, these three types are consistently absent in the corresponding linearized $k\cdot p$ model. Notably, the sharp-peak frequency and cutoff frequency remain robust against variations in band tilting and Dirac-point shifting. By employing analytical expressions derived via the Lagrange multiplier method, we elucidate the origins of the conventional critical frequencies and their partner counterparts. In contrast, the sharp-peak frequency and cutoff frequency are associated with interband optical transitions at high-symmetry points of the energy bands, arising from the Pauli exclusion principle and the finite boundaries of the Brillouin zone. Our theoretical predictions are intended to guide future experimental studies on tilt-dependent optical phenomena in 2D tilted Dirac systems.
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All authors Chao-Yang Tan, Jian-Tong Hou, Xin Chen, Ling-Zhi Bai, Jie Lu, Yong-Hong Zhao, Chang-Xu Yan, Hao-Ran Chang, Hong Guo

Mesoscale and Nanoscale Physics

Controlled dewetting and phase transition hysteresis of VO2 nanostructures

As artificial intelligence continues to grow, so does the need for more efficient ways to process data. Besides moving from electronic to photonic circuits, a promising approach is to integrate phase-change materials. Vanadium dioxide (VO$_2$) exhibits an ultrafast, near-room-temperature phase transition, characterized by hysteresis and large optical modulation – making it a promising candidate for short-term memories and for mimicking neural behavior in brain-like computing systems. While the hysteresis behavior of VO$_2$ has been well studied in thin films and nanostructures, practical control and device integration have been limited only to thin films. Here, we demonstrate control over the phase transitions of VO$_2$ nanocylinders via lithographic patterning, controlled crystallization, and controlled dewetting. Because nanostructures are easier to address and consume less power than films, the ability to fabricate them with tailored geometry and hysteresis properties directly on integrated platforms is a key step toward scalable, energy-efficient memory and neuromorphic photonic devices.
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All authors Peter Kepič, Petra Kalousková, Tomáš Šikola, Filip Ligmajer

Soft Condensed Matter

Kinetics of Salt Creeping on a Free Surface: From Nucleation to Saturation

The phenomenon of salt creeping along a free surface remains only partially understood, particularly with respect to its dynamics. In this work, combining a theoretical model with controlled experiments, we identify three distinct kinetic regimes: an initial exponential growth of the height of the crystallized salt deposit on vertical walls, followed by a linear regime, and a final stage where the height saturates while the crystal deposit thickens logarithmically. This unified description makes it possible to follow the macroscopic kinetics of salt growth on a free surface from its nucleation to saturation. In addition, we complement this macroscopic analysis with numerical simulations that shed light on the evolution of the microscopic crystal structure under varying external conditions (humidity and temperature).
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Strongly Correlated Electrons

Quantum spin liquid ground state with the evidence of roton-like excitations at elevated temperatures in the triangular-lattice delafossite YbCuSe$_2$

We present a comprehensive experimental investigation of the temperature evolution of magnetic states in triangular-lattice delafossite YbCuSe$_2$. Magnetization measurements on high-quality single crystals reveal easy-plane anisotropy. Specific heat, magnetization, and muon spin relaxation ($\mu$SR) establish the absence of magnetic order or spin freezing down to 0.03 K ($\leq J_{\mathrm{avg}}/250$), demonstrating a dynamically fluctuating quantum spin liquid (QSL) ground state. Thermodynamic measurements uncover multiple characteristic energy scales at $T_H \approx 4.5$ K, $T_L \approx 1.8$ K, and $T^* \approx 0.7$ K. Below $T^*$, $\mu$SR detects a dynamical phase separation in which the majority of the spins are forming a QSL state whereas the remaining spins form a sporadic, disorder-induced state decoupled from the dominant QSL component. Remarkably, the unconventional temperature dependence of the $\mu$SR relaxation rate indicates roton-like excitations emerging between $T_H$ and $T_L$, a feature not previously observed in any QSL system, preceding the stabilization of the low-temperature QSL at 0.3 K. These findings identify YbCuSe$_2$ as a unique QSL platform, providing valuable insights for further experimental and theoretical exploration.
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Statistical Mechanics

Percolation in the three-dimensional Ising model

Geometric representations provide a useful perspective on critical phenomena in the Ising model. In a recent study [Phys. Rev. E 112, 034118 (2025)], we found that the two-dimensional critical Ising model exhibits two consecutive percolation transitions for geometric spin clusters as the bond-occupation probability $p$ between parallel spins increases. Here, through extensive Monte Carlo simulations, we show that this phenomenon does not persist in three dimensions, where we observe only a single percolation transition on critical Ising configurations. Further theoretical analysis of the Ising model on the complete graph also yields the same scenario. In addition, we study percolation on a two-dimensional layer embedded in the three-dimensional critical Ising model. For this layer system, we estimate the red-bond exponent $y_p = 0.426(6)$ and the fractal dimensions of the largest cluster, hull, and shortest path as $d_f = 1.8926(20)$, $d_{\rm hull} = 1.663(4)$, and $d_{\rm min} = 1.080(10)$, respectively. These values indicate a distinct universality class induced by coupling to out-of-plane critical correlations.
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All authors Jinhong Zhu, Tao Chen, Zhiyi Li, Sheng Fang, Youjin Deng

Materials Science · Cross-listed from physics.chem-ph

ORION: Unifying Top-Down and Bottom-Up Chemical Space Sampling for a Universal Organic Force Field

Empirical force fields remain the primary tool for large-scale molecular simulation, yet their limited flexibility and transferability often hinder predictive modeling in chemically complex condensed-phase systems. Here we present ORION, a universal machine-learning force field for C, H, O, N, S, and P systems developed within the Neuroevolution Potential (NEP) framework. To enhance transferability across diverse chemical environments, ORION was trained on a chemically rich dataset constructed through an integrated top-down and bottom-up strategy, enabling accurate descriptions of complex organic configurations, reactive intermediates, and weak intermolecular interactions. ORION achieves near-density-functional-theory accuracy while retaining the efficiency required for large-scale molecular dynamics simulations. On the test set, it predicts atomic forces with substantially higher accuracy than ReaxFF while running 215.5 times faster under identical hardware conditions, making simulations on the hundreds-of-nanoseconds timescale readily accessible. The model provides a balanced description of bond breaking and formation, aromatic growth, hydrogen bonding, van der Waals interactions, and {\pi}-stacking, demonstrating strong transferability across both reactive and nonreactive systems. These results establish ORION as a practical and general force field for predictive simulations in chemistry and materials science, and provide an effective route toward universal machine-learning force fields with both high accuracy and broad applicability.
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All authors Zherui Chen, Jiayu Zhang, Yuxuan Tian, Zhoulin Liu, Sining Dai, Yanghui Li, Cong Chen, Dingyuan Tang, Yajun Deng, Qingxia Liu

Statistical Mechanics · Cross-listed from hep-lat

Spectrum-Generating Algebra in Higher Dimensional Gauge Theories

Non-equilibrium properties of strongly interacting gauge theories are often intractable with classical simulation methods. Due to recent developments of quantum simulations, studies of their properties in two spatial dimensions are becoming accessible. By demonstrating the existence of an approximate spectrum-generating algebra for a pure gauge plaquette ladder, we predict and verify the existence of Quantum Many-Body Scars in spin-1 Quantum Link Models. The analysis of the model is facilitated by a dualization process that maps the original gauge theory to a constrained spin chain. Was it not for the constraint, the system would have an exact spectrum-generating algebra. We propose a set of observables for diagnosing an approximate spectrum-generating algebra, which is expected to guide quantum simulators toward interesting physical regimes.
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All authors Thea Budde, Jiangjing Dong, Marina Krstić Marinković, Joao C. Pinto Barros

Materials Science

The effect of Nb and O on the martensitic transformation in the Ti-Nb-O alloys

This study examines the influence of niobium and oxygen on phase stability, crystal structure, and martensitic transformation pathways in Ti-Nb-O alloys. A series of Ti-(8-28)Nb-(0-3)O (at.%) alloys were prepared and solution-treated in the $\beta$-phase field. Microstructure and crystallography were characterized by X-ray diffraction, electron microscopy, and reciprocal-space mapping. A 2D-XRD orientation simulation approach was applied to distinguish all 12 crystallographically equivalent $\alpha"$ martensitic variants originating from a single prior $\beta$ grain, enabling detailed diffraction analysis. This method further allowed quantitative evaluation of the atomic shuffle parameter y, describing the $\beta\rightarrow\alpha"$ transformation. The results demonstrate that Nb primarily governs $\alpha"$ martensite evolution. Increasing Nb stabilizes the $\beta$ phase and shifts the $\alpha"$ structure toward higher symmetry, as reflected by systematic changes in lattice parameters and increasing shuffle parameter y, indicating suppression of transformation toward the hexagonal $\alpha'$ phase. Oxygen, in contrast, modifies transformation pathways. At lower Nb contents, it suppresses the $\omega$ phase formation and promotes $\beta\rightarrow\alpha"$ transformation, while at higher Nb levels it inhibits long-range martensitic transformation, resulting in retained $\beta$ or competing $\omega$ phase. These effects are attributed to local lattice distortions induced by interstitial oxygen.
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All authors Kristián Šalata, Dalibor Preisler, Josef Stráský, Jiří Kozlík, Lukáš Horák, Václav Holý

Soft Condensed Matter

Free chiral self-propelled robots compared to active Brownian circle swimmers

Macroscopic active matter systems, such as bristle bots, provide a compelling platform for investigating nonequilibrium dynamics at highly visible scales. To fully leverage their accessibility, accurate mathematical models are needed to corroborate experiments. In this work, we study the motion of a free chiral hexbug (Nano-Newton Series) via video tracking and compare the results to theoretical predictions from overdamped Langevin equations for active Brownian circle swimmers (ABCs). We find good agreement between the hexbug's dynamics and ABC model predictions, particularly for the mean-squared displacement and the intermediate scattering function (ISF). Deviations between the hexbug data and the ABC model arise primarily in the short-time behavior of the real-space propagator, where translational noise is most evident. Our results generally support the use of models based on overdamped Langevin equations as a robust framework for describing hexbug motion when the influence of translational noise is negligible. Moreover, they demonstrate the sensitivity of ISF- and propagator-based analyses in characterizing active systems. Our approach opens new avenues toward refining coarse-grained models and advancing the theoretical understanding of macroscopic active systems.
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All authors Thomas Kiechl, Amy Altshuler, Anton Lüders, Yael Roichman, Thomas Franosch

Soft Condensed Matter

Inertial chiral active Brownian particle: Transition from Gaussian to platykurtic distribution

We investigate the dynamics of an inertial chiral active Brownian particle in the presence of a harmonic confinement. Through numerical simulation, we observe that when the harmonic frequency becomes comparable to the chiral frequency, the position distribution transitions from a Gaussian to a platykurtic distribution, corresponding to short tails with a nearly uniform probability near the minimum of the potential. This result is further confirmed by analyzing the kurtosis of the position of the particle as a function of harmonic frequency, which exhibits a dip when the harmonic frequency matches the chiral frequency. At the same time, the steady state mean square displacement (MSD) shows a non-monotonic feature with the harmonic frequency and shows a maximum only when the harmonic frequency is of the same order as the chiral frequency. In the rotational overdamped limit of the same model, we have calculated the exact expression for kurtosis, steady state MSD and find that the qualitative behavior remains the same. Kurtosis still exhibits a dip in the matching of chiral and harmonic frequencies, but the feature is less pronounced with a higher minimum. These findings might be relevant for controlling the transport and spatial distribution of chiral microswimmers in optical or acoustic traps, where confinement can be tuned to optimize particle distribution.
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Strongly Correlated Electrons

Nonperturbative effects in second harmonic generation

Second-harmonic generation (SHG) is a quintessential probe of inversion symmetry breaking in condensed matter. While perturbative $\chi^{(2)}$ processes are well-documented, the nonperturbative regime under intense driving remains largely unexplored. In this Letter, we develop a nonperturbative Floquet-Keldysh theory to describe SHG in two-band systems. Our analysis reveals the emergence of two distinct types of nonperturbative saturation: a transition from the conventional $E^2$ scaling to a linear $E$ dependence, and a stronger saturation regime where the SHG response becomes independent of the field amplitude. These behaviors are analytically shown to be governed by one-photon and two-photon resonance processes, respectively. By applying our formalism to a tight-binding model of monolayer GeS, we demonstrate that these specific scaling behaviors are observable in realistic materials and are fully consistent with large-scale numerical Floquet-matrix calculations.
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Mesoscale and Nanoscale Physics

Predicted DC current induced by propagating wave in gapless Dirac materials

In this paper, we show that the application of propagating waves can induce a DC current even in systems with spatial inversion symmetry. We derive the equation for the DC current induced by propagating waves using two methods: perturbation theory and Floquet theory. These two approaches yield consistent results. We then apply the equation to gapless graphene subjected to propagating waves. A nonzero DC current is predicted in graphene with next nearest neighbor hopping terms. Nonperturbative effects arising from a strong wave amplitude are also discussed within the framework of Floquet theory.
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Mesoscale and Nanoscale Physics

Bias controlled Interlayer Exchange Coupling

We demonstrate, using computer simulations and a non-equilibrium Greens function approach, that the sign of the out-of-equilibrium interlayer exchange coupling (ooeIEC) can change in the presence of an externally applied electrical bias. Our system consists of an insulating section connected to an exchange coupled ferromagnetic (FM) tri-layer, sandwiched between semi-infinite leads. When the exchange coupled trilayer contains a quantum-well state confined in the hybridisation gap (HG) of the FM, we find that a relatively small applied electrical bias can switch the lowest energy state of the tri-layer between parallel (P) and anti-parallel (AP) configurations. We consider three cases for the insulating section; a single tunnelling barrier, a resonant tunnelling barrier and an amorphous insulating barrier and, in each case, show that the bias dependence of the ooeIEC is strongly dependent on the system conductance. We find that the lowest switching current densities are achieved with strongly confined quantum well states.
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