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Physics Condensed Matter

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Thursday 16 October

Soft Condensed Matter · Cross-listed from physics.bio-ph

Living Capillary Bridges

Biological tissues exhibit complex behaviors with their dynamics often resembling inert soft matter such as liquids, polymers, colloids, and liquid crystals. These analogies enable physics-based approaches for investigations of emergent behaviors in biological processes. A well-studied case is the spreading of cellular aggregates on solid surfaces, where they display dynamics similar to viscous droplets. In vivo, however, cells and tissues are in a confined environment with varying geometries and mechanical properties to which they need to adapt. In this work, we compressed cellular aggregates between two solid surfaces and studied their dynamics using microscopy, and computer simulations. The confined cellular aggregates transitioned from compressed spheres into dynamic living capillary bridges exhibiting bridge thinning and a convex-to-concave meniscus curvature transition. We found that the stability of the bridge is determined by the interplay between cell growth and cell spreading on the confining surfaces. This interaction leads to bridge rupture at a critical length scale determined by the distance between the plates. The force distributions, formation and stability regimes of the living capillary bridges were characterized with full 3D computer simulations that included cell division, migration and growth dynamics, directly showing how mechanical principles govern the behavior of the living bridges; cellular aggregates display jamming and stiffening analogously to granular matter, and cell division along the long axis enhances thinning. Based on our results, we propose a new class of active soft matter behavior, where cellular aggregates exhibit liquid-like adaptation to confinement, but with self-organized rupturing driven by biological activity.
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All authors Tytti Kärki, Senna Luntama, Yasamin Modabber, Saila Pönkä, Gonca Erdemci-Tandogan, Mikko Karttunen, Grégory Beaune, Jaakko V. I. Timonen

Strongly Correlated Electrons

$^{23}$Na-NMR study on the one-dimensional superoxide spin-chain compound NaO$_2$

We report $^{23}$Na-NMR study of the alkali superoxide NaO$_2$, a candidate one-dimensional quantum spin system. The Knight shift, linewidth, and spin-lattice relaxation rate $1/T_1$ were investigated down to 0.3 K in magnetic fields up to 16 T. Below $T_{\rm S3} =$ 34 K, $1/T_1$ exhibits thermally activated behavior, indicating the opening of a spin gap of $\Delta(10.1 {\rm T}) \simeq$ 38.0 K and $\Delta(3.55 {\rm T}) \simeq$ 46 K, The hyperfine coupling constant shows a sudden reduction across the structural transition at $T_{\rm S2} \simeq$ 195 K, reflecting the development the pronounced one-dimensionality in the elctron structure. These results provide microscopic evidence that NaO$_2$ is a rare $\pi$-orbital-based one-dimensional spin chain that exhibits a spin-gapped ground state, consistent with a spin-Peierls-like instability.
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Quantum Gases · Cross-listed from physics.optics

Bloch-Landau-Zener Oscillations in Moiré Lattices

We develop a theory of two-dimensional Bloch-Landau-Zener (BLZ) oscillations of wavepackets in incommensurate moiré lattices under the influence of a weak linear gradient. Unlike periodic systems, aperiodic lattices lack translational symmetry and therefore do not exhibit a conventional band-gap structure. Instead, they feature a mobility edge, above which (in the optical context) all modes become localized. When a linear gradient is applied to a moiré lattice, it enables energy transfer between two or several localized modes, leading to the oscillatory behavior referred to as BLZ oscillations. This phenomenon represents simultaneous tunneling in real space and propagation constant (energy) space, and it arises when quasi-resonance condition for propagation constants and spatial proximity of interacting modes (together constituting a selection rule) are met. The selection rule is controlled by the linear gradient, whose amplitude and direction play a crucial role in determining the coupling pathways and the resulting dynamics. We derive a multimode model describing BLZ oscillations in the linear regime and analyze how both attractive and repulsive nonlinearities affect their dynamics. The proposed framework can be readily extended to other physical systems, including cold atoms and Bose-Einstein condensates in aperiodic potentials.
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Materials Science

Enhanced Secondary Electron Detection of Single Ion Implants in Silicon Through Thin SiO2 Layers

Deterministic placement of single dopants is essential for scalable quantum devices based on group-V donors in silicon. We demonstrate a non-destructive, high-efficiency method for detecting individual ion implantation events using secondary electrons (SEs) in a focused ion beam (FIB) system. Using low-energy Sb ions implanted into undoped silicon, we achieve up to 98% single-ion detection efficiency, verified by calibrated ion-current measurements before and after implantation. The technique attains ~30 nm spatial resolution without requiring electrical contacts or device fabrication, in contrast to ion-beam-induced-current (IBIC) methods. We find that introducing a controlled SiO2 capping layer significantly enhances SE yield, consistent with an increased electron mean free path in the oxide, while maintaining high probability of successful ion deposition in the underlying substrate. The yield appears to scale with ion velocity, so higher projectile mass (e.g. Yb, Bi etc) requires increased energy to maintain detection efficiency. Our approach provides a robust and scalable route to precise donor placement and extends deterministic implantation strategies to a broad range of material systems and quantum device architectures.
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All authors Ella B Schneider, Oscar G Lloyd-Willard, Kristian Stockbridge, Mark Ludlow, Sam Eserin, Luke Antwis, David C Cox, Roger P Webb, Ben N Murdin, Steve K Clowes

Strongly Correlated Electrons

Emergent Shastry-Sutherland network from square-kagome Heisenberg antiferromagnet with trimerization

We study the $S=1/2$ square-kagome lattice Heisenberg antiferromagnet with the trimarized modulation. In the trimerized limit, each trimer hosts the four-fold degenearte ground states characterized by the spin and chirality degrees of freedom. We find that, within the first-order perturbation theory with respect to the inter-trimer coupling, the effective Hamiltonian is the Kugel-Khomskii-type model on a Shastry-Sutherland lattice. Based on a mean-field decoupling, we propose a dimer-covering ansatz for the effective Hamiltonian; however, the validity of these states in the low-energy sector remains an open question.
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Materials Science

Ferroelectric amplitude switching and continuous memory

Although ferroelectric systems inherently exhibit binary switching behavior, recent advances in analog memory device have spurred growing interest in achieving continuous memory states. In this work, we demonstrate ferroelectric amplitude switching at the mesoscopic scale in compositionally graded Ba1-xSrxTiO3 heterostructures, enabling continuous modulation of polarization magnitude without altering its direction, which we defined as amplitude switching. Using switching current measurement, piezoresponse force microscopy and Landau-Ginzburg-Devonshire simulations, we reveal that compositionally graded ferroelectric heterostructure can possess amplitude switching behavior through a double well potential with flattened minima. This behavior supports stable, continuous polarization states and establishes a new platform for analog memory applications. These findings introduce amplitude switching as a new dynamic of the order parameter, paving the way for energy-efficient and reliable analog memory systems.
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All authors Gye-Hyeon Kim, Tae Hyun Jung, Seungjoon Sun, Jung Kyu Lee, Jaewoo Han, P. Karuna Kumari, Jin-Hyun Choi, Hansol Lee, Tae Heon Kim, Yoon Seok Oh, Seung Chul Chae, Se Young Park, Sang Mo Yang, Changhee Sohn

Mesoscale and Nanoscale Physics

Cryogenic temperature dependence and hysteresis of surface-trap-induced gate leakage in GaN high-electron-mobility transistors

This work provides a detailed mapping of various mechanisms of surface-trap-induced gate leakage in GaN HEMTs across a temperature range from room to cryogenic levels. Two-dimensional variable-range hopping is observed at small gate bias. Under higher reverse gate bias, the leakage is dominated by the Poole–Frenkel emission above 220 K, but gradually transitions to the trap-assisted tunneling below 220 K owing to the frozen-trap effect. The trap barrier height extracted from the gate leakage current under the upward gate sweep is 0.65 V, which is 12% higher than that from the downward sweep. The gate leakage current as a function of the gate bias exhibits clockwise hysteresis loops above 220 K but counterclockwise ones below 220 K. This remarkable opposite hysteresis phenomenon is thoroughly explained by the trap mechanisms.
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All authors Ching-Yang Pan, Shi-Kai Lin, Yu-An Chen, Pei-hsun Jiang

Superconductivity

Quasiclassical theory of vortex states in locally non-centrosymmetric superconductors: application to CeRh$_{2}$As$_{2}$

CeRh$_{2}$As$_{2}$, a heavy fermion superconductor discovered in 2021, exhibits two distinct superconducting phases under a $c$-axis magnetic field. This unconventional phase diagram has been attributed to the local inversion symmetry breaking at the Ce sites. At low magnetic fields, a conventional even-parity spin-singlet superconducting state is realized, whereas at higher fields, an odd-parity spin-singlet superconducting state, in which the order parameter alternates sign between neighboring Ce layers, becomes stabilized. In this study, we employ a quasiclassical approach to investigate the vortex states of bilayer superconductors with locally broken inversion symmetry. We calculate the local density of states (LDOS) in the vortex lattice state and find that the pairing symmetry of different superconducting states is clearly manifested in the peak structure of LDOS at the vortex core. Since LDOS is experimentally observable, our work provides a pathway for experimental verification of the superconducting parity transition in CeRh$_{2}$As$_{2}$.
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Mesoscale and Nanoscale Physics

Linearly polarized light enables chiral edge transport in quasi-2D Dirac materials

Floquet engineering with high-frequency light offers dynamic control over topological phases in quantum materials. While in 3D Dirac systems circularly polarized light is known to induce topological phase transitions via gap opening, linearly polarized light (LPL) has generally been considered ineffective. Here we show that in quasi-2D Dirac materials the second-order momentum term arising from the intersurface coupling can induce a topological phase transition under LPL, leading to chiral edge channels. Considering an ultrathin Bi$_2$Se$_3$ film as a representative system, we show that this transition occurs at experimentally accessible light intensities. Our results thus promote quasi-2D materials as viable platforms for light-controlled topological phases, expanding the potential of Floquet topological engineering.
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Disordered Systems and Neural Networks

Evidence of de Almeida-Thouless line below six dimensions

We study the critical behavior of the Ising spin glass in five spatial dimensions through large-scale Monte Carlo simulations and finite-size scaling analysis. Numerical evidence for a phase transition is found both with and without an externally applied magnetic field. The critical exponents are computed in both cases. We compute with a 10% accuracy the lower critical dimension at zero magnetic field, finding a result consistent with estimates obtained with entirely different methods, by combining our estimates of critical exponents in five dimensions with previous results for other spatial dimensions. When the results in a magnetic field are compared with previous results in six spatial dimensions, qualitative differences emerge in the scaling behavior of the correlation functions at zero external momentum. This anomalous scaling does not extend to other wavevectors. We do not find indications of a quasi first-order phase transition in a magnetic field.
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All authors M. Aguilar-Janita, V. Martin-Mayor, J. Moreno-Gordo, J.J. Ruiz-Lorenzo

Statistical Mechanics

The Tracy-Widom distribution at large Dyson index

We study the Tracy-Widom (TW) distribution $f_\beta(a)$ in the limit of large Dyson index $\beta \to +\infty$. This distribution describes the fluctuations of the rescaled largest eigenvalue $a_1$ of the Gaussian (alias Hermite) ensemble (G$\beta$E) of (infinitely) large random matrices. We show that, at large $\beta$, its probability density function takes the large deviation form $f_\beta(a) \sim e^{-\beta \Phi(a)}$. While the typical deviation of $a_1$ around its mean is Gaussian of variance $O(1/\beta)$, this large deviation form describes the probability of rare events with deviation $O(1)$, and governs the behavior of the higher cumulants. We obtain the rate function $\Phi(a)$ as a solution of a Painlevé II equation. We derive explicit formula for its large argument behavior, and for the lowest cumulants, up to order 4. We compute $\Phi(a)$ numerically for all $a$ and compare with exact numerical computations of the TW distribution at finite $\beta$. These results are obtained by applying saddle-point approximations to an associated problem of energy levels $E=-a$, for a random quantum Hamiltonian defined by the stochastic Airy operator (SAO). We employ two complementary approaches: (i) we use the optimal fluctuation method to find the most likely realization of the noise in the SAO, conditioned on its ground-state energy being $E$ (ii) we apply the weak-noise theory to the representation of the TW distribution in terms of a Ricatti diffusion process associated to the SAO. We extend our results to the full Airy point process $a_1>a_2>\dots$ which describes all edge eigenvalues of the G$\beta$E, and correspond to (minus) the higher energy levels of the SAO, obtaining large deviation forms for the marginal distribution of $a_i$, the joint distributions, and the gap distributions.
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Materials Science

First-Principles Approach to Spin Excitations in Noncollinear Magnetic Systems

We present a first-principles method based on density functional theory and many-body perturbation theory for computing spin excitations in magnetic systems with noncollinear spin textures. Traditionally, the study of magnetic excitations has relied on spin models that assume magnetic moments to be localized. Beyond this restriction, recent $ab~initio$ methods based on Green's functions within the local spin-density approximation have emerged as a general framework for calculating magnetic susceptibilities. However, their application has so far been largely limited to collinear ferromagnetic and antiferromagnetic systems. In this work, we extend this framework and enable the treatment of large-scale noncollinear magnetic systems by leveraging a Wannier-basis representation and implementing an ansatz potential method to reduce computational cost. We apply our method to the spin-spiral state of LiCu$_2$O$_2$, successfully capturing its steady-state spin-rotation pitch in agreement with the experimental measurement and resolving the characteristic magnon dispersion. We further analyze the interplay between the spiral spin structure and the on-site spin-exchange splitting, and elucidate the crucial role of magnetic dipoles on ligand ions in mediating effective ferromagnetic interaction among the primary spins on Cu$^{2+}$ ions. Finally, we provide a theoretical prediction of the magnon dispersion on top of the helical spin background in high agreement with the experimental measurement. Overall, this work establishes a general and computationally efficient framework for simulating collective spin dynamics in noncollinear magnetic systems from first principles, exemplified by – but not limited to – spin-spiral states.
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Mesoscale and Nanoscale Physics

Electric field-induced spin-valley locking in twisted bilayer buckled honeycomb materials

A twisted honeycomb bilayer exhibits a moiré superstructure that is composed of a hexagonal arrangement of AB and BA stacked domains separated by domain boundaries. In the case of twisted bilayer graphene, the application of an electric field normal to the bilayer leads to the opening of inverted band gaps in the AB and BA stacked domains. The inverted band gaps result in the formation of a two-dimensional triangular network of counterpropagating valley protected helical domain boundary states, also referred to as the quantum valley Hall effect. Owing to spin-orbit coupling and buckling, the quantum valley Hall effect in twisted bilayer silicene and germanene is more complex than in twisted bilayer graphene. We found that there is a range of electric fields for which the spin degree of freedom is locked to the valley degree of freedom of the electrons in the quantum valley Hall states, resulting in a stronger topological protection. For electric fields smaller than the aforementioned range the twisted bilayer does not exhibit the quantum valley Hall effect, whereas for larger electric fields the spin-valley locking is lifted and the emergent quantum valley Hall states are only valley-protected.
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All authors Harold J.W. Zandvliet, Pantelis Bampoulis, Cristiane Morais Smith, Lumen Eek

Materials Science

Multiscale Models For Perovskite Optimisation

This paper presents a multiscale approach to evaluate perovskite solar cell performance which determines material properties at the atomistic scale with first-principles calculations, and applies them in macro-scale device models. This work focuses on the MAPbI3 (MA = CH3NH3) perovskite and how its phase transitions impact on its optical, electronic, and structural properties which are investigated at the first-principles level. The obtained data are coupled to a numerical drift-diffusion device model enabling evaluation of the performance of corresponding single junction devices. The first-principles simulation applies a hybrid exchange-correlation functional adapted to the studied family of compounds. Validation by available experimental data is presented from materials properties to device performance, justifying the use of the approach for predictive evaluation of existing and novel perovskites. The coupling between atomistic and device models is described in terms of a framework for exchange of optical, vibrational, and electronic parameters between the two scales. The result of this theoretical investigation is a methodology for designing and optimising perovskite materials for both cell performance and stability, the key obstacle in the societal implementation of these record-breaking new materials.
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All authors Philippe Baranek, James P. Connolly, Antoine Gissler, Philip Schulz, Michel Rérat, Roberto Dovesi

Materials Science

Laser-Induced Heating in Diamonds: Influence of Substrate Thermal Conductivity and Interfacial Polymer Layers

Diamonds hosting color centers possess intrinsically high thermal conductivity; therefore, laser-induced heating has often received little attention. However, when placed on substrates with low thermal conductivity, localized heating of diamonds under laser excitation can become significant, and the presence of an interfacial polymer layer between substrate and diamond further amplifies this effect. Yet, the relationship between substrate thermal conductivity, polymer thickness, and laser heating remains to be established. Here, a systematic investigation is presented on laser-induced heating of silicon-vacancy diamond on substrates with varying thermal conductivity and interfacial polymer thickness. Results reveal that even at a low excitation power of 737~$\mu$W/$\mu$m$^2$, thin amorphous holey carbon – the lowest-conductivity substrate ($\sim$0.2~W~m$^{-1}$~K$^{-1}$) studied – exhibits substantial heating, while glass ($\sim$1.4~W~m$^{-1}$~K$^{-1}$) and polydimethylsiloxane (PDMS, $\sim$0.35~W~m$^{-1}$~K$^{-1}$) show noticeable heating only above 2.95~mW/$\mu$m$^2$. For polymer interlayers, a thickness of just 2.2~$\mu$m induces significant heating at 2.95~mW/$\mu$m$^2$ and above, highlighting strong influence of both substrate and polymer thickness on local heating response. Experimental findings are further validated using COMSOL Multiphysics simulations with a steady-state 3D heat transfer model. These results provide practical guidance for substrate selection and sample preparation, enabling optimization of conditions for optical thermometry and quantum sensing applications.
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All authors Md Shakhawath Hossain, Jiatong Xu, Thi Ngoc Anh Mai, Nhat Minh Nguyen, Trung Vuong Doan, Chaohao Chen, Qian Peter Su, Yongliang Chen, Evgeny Ekimov, Toan Dinh, Xiaoxue Xu, Toan Trong Tran

Strongly Correlated Electrons

Frustration-driven unconventional magnetism in the Mn$^{2+}$ ($S=\frac{5}{2}$) based two-dimensional triangular-lattice antiferromagnet Ba$_{3}$MnTa$_{2}$O$_{9}$

A triple perovskite oxide Ba$_{3}$MnTa$_{2}$O$_{9}$ has been synthesized and its magnetic properties have been investigated through dc and ac magnetization, specific heat, electron spin resonance (ESR) measurements, and density functional theory (DFT) calculations. Mn$^{2+}$ ($S$ = 5/2) ions are the only magnetic species present in the material. These Mn$^{2+}$ ions constitute a quasi-two-dimensional triangular network in the crystallographic $ab$-plane. Magnetization and specific heat measurements reveal the absence of any long-range magnetic order down to 0.5\,K despite the presence of antiferromagnetic correlations between the magnetic ions, suggesting the presence of geometric frustration in the material. The entropy release is lower than the expected theoretical value of $Rln(6)$, further suggesting the presence of frustration. First-principles calculations using density functional theory (DFT) and atomistic spin dynamics (ASD) simulations further support this lack of static magnetic order even at low temperatures and identify the competing magnetic interactions along with the quasi-2D magnetic dimensionality as the underlying origin of such an unconventional magnetic behavior.
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All authors Romario Mondal, Sk. Soyeb Ali, Saikat Nandi, S. Chattopadhyay, S. Gaß, L. T. Corredor, A. U. B. Wolter, V. Kataev, B. Büchner, A. Alfonsov, S. Wurmehl, A. V. Mahajan, S. K. Panda, T. Dey

Soft Condensed Matter

Vertical pullout of a non-spherical intruder from a granular medium: From system-wide response to avalanching around the intruder

Intruder mechanics in a granular aggregate is a common subject in engineering and geotechnical applications. However, most studies are limited to spherical intruders or small displacement regimes up to the point of failure. In this work we investigate the vertical pullout of a plate-like intruder buried within a granular aggregate well past the point of failure. While we find the maximum resistance force to depend on the material properties, in the post failure regime the resistance force converges onto the same curve for all friction coefficients. Likewise, the effective geometry of the intruder will always develop the same conical shape on top of the plate, independent of the magnitude of friction, that remains unchanged during the pullout process once established. Further, between the intruder and the aggregate a natural hopper flow develops in which material is transported into the void below the intruder by discrete flow events.
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All authors Dominik Krengel, Jian Chen, Shun Nomura, Shunsuke Ota, Hidenori Takahashi

Superconductivity

Effect of decorating NiO nanoparticles on superconducting properties of YBCO

The influence of adding 23 nm NiO nanoparticles on the magnetic hysteresis loops and critical current density of the high-temperature superconductor YBa2Cu3O7-d has been investigated. The samples were prepared using a fast annealing method that prevents chemical interaction between the components and does not reduce the critical temperature of the superconductor. Compared to the undoped YBCO sample, the critical current density increases in the samples doped with NiO nanoparticles in magnetic fields greater than 6 kOe. The sample containing 0.5 weight percent of NiO nanoparticles exhibits the greatest enhancement in critical current density at 10 kOe (1.36 times greater than the undoped sample).
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All authors D.M. Gokhfeld, S.V. Semenov, M.I. Petrov, I.V. Nemtsev, M.S. Molokeev, V.L. Kirillov, O.N. Martyanov

Superconductivity

Multi-orbital Dirac superconductors and their realization of higher-order topology

Topological nodal superconductors (SCs) have attracted considerable interest due to their gapless bulk excitations and exotic surface states. In this paper, by establishing a general framework of the effective theory for multi-orbital SCs, we realize a class of three-dimensional (3D) time-reversal (T )-invariant Dirac SCs, with their topologically protected gapless Dirac nodes being located at general positions in the Brillouin zone. By introducing T -breaking pairing perturbations, we demonstrate the existence of Majorana hinge modes in these Dirac SCs as evidence of their realization of higher-order topology. We also propose a new kind of T -breaking Dirac SCs, whose Dirac nodes possess nonzero even chiralities and so are characterized by surface Majorana arcs.
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Superconductivity

Superconductivity in UTe$_2$ from local noncentrosymmetricity

Superconductivity in UTe$_{2}$ has garnered significant attention, as it is widely recognized as a promising candidate for a spin-triplet superconductor. However, the symmetry of superconductivity and the microscopic origin of spin-triplet pairing remain subjects of debate. Nevertheless, various experiments imply an intimate coupling between magnetism and superconductivity. In this paper, we analyze a multi-sublattice periodic Anderson model that incorporates a spin-orbit coupling allowed in locally noncentrosymmetric crystals to discuss magnetic fluctuations and superconductivity in UTe$_2$. Due to the sublattice-dependent spin-orbit coupling, magnetic fluctuations become anisotropic, and the spin degeneracy of superconducting states is lifted. Our calculations reveal anisotropic antiferromagnetic fluctuations along the $b$- and $c$-axes, anisotropic ferromagnetic fluctuations along the $a$-axis, and their coexistence. These can be tuned by the $f$-electron's level. Superconductivity in the $A_u$ representation is predominant for a wide range of parameters, whereas the $B_{2u}$ representation is almost degenerate and can be stabilized. The direction of the $d$-vector changes as we increase the spin-orbit coupling. We discuss the consistency between our results and several experiments.
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Materials Science

Magnetization, excitations, and microwave power absorption in transition-metal/rare-earth ferrimagnets with disorder

Efficient numerical routines are developed for numerical studies of the dependence of the equilibrium magnetic states, excitations, and microwave power absorption on temperature and composition in transition-metal/rare-earth ferrites, including the reversal of the Néel vector occurring on both temperature and the concentration of the rare-earth atoms. It results in a drastic change in the behavior at the magnetization and angular-momentum compensation points. Dominant uniform oscillation modes are obtained by computing the magnetization correlation function. They are compared with the analytical solution, which is analyzed in detail. The fluctuation-dissipation theorem is used to compute the frequency dependence of the absorbed microwave power. A good agreement with analytical results is demonstrated. Disorder caused by random positions of rare-earth atoms in a diluted RE system leads to multiple localized modes that converge into broad absorption maxima as the size of the system increases. The power absorption integrated over frequency exhibits a minimum at the compensation point.
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Strongly Correlated Electrons

Impurity-induced spin density wave in the thermoelectric layered cobaltite [Ca$_2$CoO$_3$]$_{0.62}$[CoO$_2$]

We investigate the Sn-substitution effect on the thermoelectric transport properties of the layered cobaltite [Ca$_2$CoO$_3$]$_{0.62}$[CoO$_2$] single crystals, which exhibit a non-monotonic temperature variation of the electrical resistivity and the Seebeck coefficient owing to the complex electronic and magnetic states. We find that the onset temperature of the short-range spin-density-wave (SDW) formation increases with the substituted Sn content, indicating the impurity-induced stabilization of the SDW order, reminiscent of the disorder/impurity-induced spin order in the cuprate superconductors. The Seebeck coefficient is well related to such impurity effects, as it is slightly enhanced below the onset temperatures, implying a decrease in the carrier concentration due to a pseudo-gap formation associated with the SDW ordering. We discuss the site-dependent substitution effects including earlier studies, and suggest that substitution to the conducting CoO$_2$ layers is essential to increase the onset temperature, consistent with the impurity-induced SDW picture realized in the conducting layers with the cylindrical Fermi surface.
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All authors Motoya Takenaka, Shogo Yoshida, Yoshiki J. Sato, Ryuji Okazaki

Mesoscale and Nanoscale Physics

Magnetic flux induced higher-order topological superconductivity

Higher-order topological superconductivity typically depends on spin-orbit interaction, and often necessitates well designed sample structures, nodal superconducting pairings or complex magnetic order. In this work, we propose a model that incorporates a Zeeman field, antiferromagnetic order, and $s$-wave superconducting pairing, all without the need for spin-orbit interaction. In a two-dimensional system, we realize a second-order topological superconductor by utilizing a staggered flux, provided that the Zeeman field is oriented perpendicular to the magnetic order moments. In three-dimensional systems, we achieve second- and third-order topological superconductors in theory, through stacking the two-dimensional second-order topological superconductor.
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All authors Jinpeng Xiao, Qianglin Hu, Zuodong Yu, Weipeng Chen, Xiaobing Luo

Materials Science

Comparison of Electroluminescence and Photoluminescence Imaging of Mixed-Cation Mixed-Halide Perovskite Solar Cells at Low Temperatures

Halide perovskites have emerged as promising candidates for high-performance solar cells. This study investigates the temperature-dependent optoelectronic properties of mixed-cation mixed-halide perovskite solar cells using electroluminescence (EL) and photoluminescence (PL) hyperspectral imaging, along with current-voltage analysis. Luminescence images, which were converted to EL and PL external radiative efficiency (ERE) maps, revealed significant changes in the optoelectronic behavior of these devices at low temperatures. Specifically, we found that a significant source of heterogeneity in the low-temperature EL ERE maps below 240 K is related to local charge injection and extraction bottlenecks, whereas PL ERE maps show suppressed non-radiative recombination and significant improvements in efficiency throughout the investigated temperature range. The spatial distribution of ERE and its variation with applied current were analyzed, offering insights into charge-carrier dynamics and defect behavior. Our results reveal that while the perovskite layer exhibits enhanced ERE at low temperatures, charge injection barriers at the interfaces of the perovskite solar cells significantly suppress EL and degrade the fill factor below 240 K. These findings reveal that a deeper understanding of the performance of perovskite solar cells under low-temperature conditions is an essential step toward their potential application in space power systems and advanced semiconductor devices.
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All authors Hurriyet Yuce-Cakir, Haoran Chen, Isaac Ogunniranye, Susanna M. Thon, Yanfa Yan, Zhaoning Song, Behrang H. Hamadani

Materials Science

Ferroelasticity tunable altermagnets

Altermagnets have garnered great interest due to their non-relativistic spin splitting and novel physical properties. However, the control of altermagnetic states remains underexplored. Here, we propose a unique multiferroic state, i.e. ferroelastic altermagnetic state, in which ferroelastic strain couples directly to the spin-splitting. Through symmetry analysis and first-principles calculations, we identify the ferroelastic $d$-wave altermagnetism of puckered pentagonal CoSe$_2$ monolayer. Interestingly, uniaxial stress can induce a ferroelastic phase transition, accompanied by a $90\degree$ rotation of the spin-splitting bands. Cooperative rotation of the lattice and Néel vectors preserves the sign of Kerr angle, whereas noncooperative rotation reverses it. Our work provides a general strategy for manipulating altermagnetism in multiferroic systems and opens other avenues for exploring emergent magnetoelastic phenomena.
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All authors Ning Ding, Haoshen Ye, Shan-Shan Wang, Shuai Dong

Superconductivity

Experimental Demonstration of a Superconductor SFQ-Based ADC for High-Frequency Signal Acquisition

Superconducting quantum interference devices (SQUIDs) are among the most sensitive sensors, offering high precision through their well-defined flux-voltage characteristics. Building on this sensitivity, we designed, fabricated, and experimentally demonstrated a superconducting single flux quantum (SFQ)-based analog-to-digital converter (ADC) capable of detecting small variations in input current signals at high frequencies and converting them into SFQ pulse trains. To improve robustness and reduce errors, the design incorporates a majority circuit and two types of counters: asynchronous toggle flip-flop-based and synchronous cumulative-based, at the cryogenic stage. The counter collects the SFQ pulse train and converts it into a binary number, simplifying downstream digital readout. The circuits were implemented using the AIST CRAVITY (QuFab) HSTP process and successfully tested in our cryocooler system, validating both the design methodology and operation. This approach helps build a fully integrated system that combines digital SQUID functionality with cryogenic readout circuits on a single chip.
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All authors Beyza Zeynep Ucpinar, Sasan Razmkhah, Mustafa Altay Karamuftuoglu, Ali Bozbey

Mesoscale and Nanoscale Physics

Phenomenological Ehrenfest Dynamics with Topological and Geometric Phase Effects and the curious case of Elliptical intersection

We present a comprehensive computational framework for simulating nonadiabatic molecular dynamics with explicit inclusion of geometric phase (GP) effects. Our approach is based on a generalized two-level Hamiltonian model that can represent various electronic state crossings - conical intersections, avoided crossings, and elliptic intersections - through appropriate parameterization. We introduce a novel prelooping trajectory initialization scheme, allowing us to encode the memory as an initial phase accumulated due to the adiabatic evolution over the potential energy surface. This is a unified framework to handle different types of level crossings by incorporating Berry curvature-based force corrections to Ehrenfest dynamics, ensuring accurate representation of topological effects. For conical intersections, our method incorporates the theoretically expected phase pi, while for elliptic intersections, it yields a parametrically tunable but loop radius (energy) independent phase different from pi. We also include an eccentricity parameter (e) in the diabatic coupling to model more realistic molecular systems. Numerical simulations demonstrate the consistency of our approach with theoretical predictions for mixing of states and inhibition from mixing due to geometric phase effects. This framework provides a valuable tool for studying quantum-classical interactions in molecular systems where geometric phase effects play a significant role. The elliptical intersection and geometric phase effect opens avenue for the design and discovery of degenerate materials. It produces a fresh look to help develop a new kind of spectroscopy and potential qubit applications. This simple Hamiltonian reveals a pathological phase protection effect E = kr, where k is real, that has great utility in a new spectroscopy design.
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Mesoscale and Nanoscale Physics

Mapping Temperature Using Transmission Kikuchi Diffraction

Electronic devices are engineered at increasingly smaller length scales; new metrologies to understand nanoscale thermodynamics are needed. Temperature and pressure are fundamental thermodynamic quantities whose nanoscale measurement is challenging as physical contact inevitably perturbs the system. Here we demonstrate Kikuchi diffraction thermometry (KDTh), a non-contact scanning electron microscope (SEM) technique capable of mapping nanoscale temperatures and pressures. KDTh detects local volumetric lattice changes in crystalline samples by precisely fitting Kikuchi patterns. Temperature changes are deduced using the coefficient of thermal expansion (CTE). We map lattice parameters and temperatures on Joule-heated graphite by rastering a 5.5-nm electron probe across the sample. Our parameter precision is ~0.01% and our temperature sensitivity is 2.2 K/$\sqrt{Hz}$. KDTh offers advanced sensitivity by fitting the entire Kikuchi pattern, even beyond the precision measured in transmission electron microscopy. KDTh can operate in both transmission (transmission Kikuchi diffraction, TKD) and reflection (electron backscatter diffraction, EBSD) modes.
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All authors Yueyun Chen, Xin Yi Ling, Jared Lodico, Tristan P. O`Neill, B. C. Regan, Matthew Mecklenburg

Materials Science

A large spin-splitting altermagnet designed from the hydroxylated MBene monolayer

The development of altermagnets is fundamentally important for advancing spintronic device technology, but remains unpractical for the weak spin splitting in most cases, especially in two-dimensional materials. Based on spin group symmetry analysis and first-principles calculations, a novel hydroxyl rotation strategy in collinear antiferromagnets has been proposed to design altermagnets. This approach achieves a large chirality-reversible spin splitting exceeding $1130$ meV in $\alpha_{60}$-Mn$_2$B$_2$(OH)$_2$ monolayer. The system also exhibits intrinsic features of a node-line semimetal in the absence of spin-orbit coupling. Besides, the angles of hydroxyl groups serve as the primary order parameter, which can switch on/off the altermagnetism coupled with the ferroelastic mechanism. The corresponding magnetocrystalline anisotropy have also been modulated. Moreover, an interesting spin-related transport property with the spin-polarized conductivity of 10$^{19}$ $\Omega^{-1}m^{-1}s^{-1}$ also emerges. These findings uncover the hydroxyl rotation strategy as a versatile tool for designing altermagnetic node-line semimetals and opening new avenues for achieving exotic chemical and physical characteristics associated with large spin splitting.
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Wednesday 15 October

Materials Science · Cross-listed from cs.LG

A Conformation-Centric Generative Foundation Model for Linear Polymer Modeling and Design

Linear polymers, macromolecules formed from monomers covalently bonded into continuous chains, underpin countless technologies and are indispensable to modern life. While deep learning is advancing polymer science, existing methods typically represent the whole linear polymer solely through monomer-level descriptors, overlooking the global structural information inherent in polymer conformations, which ultimately limits their practical performance. Moreover, this important field still lacks a dedicated foundation model that can effectively support diverse downstream tasks, thereby severely constraining progress. To address these challenges, we introduce PolyConFM, a foundation model tailored for modeling and designing linear polymers through conformation-centric generative pretraining. Recognizing that each linear polymer is essentially a continuous chain whose conformation can be naturally decomposed into a sequence of local conformations (i.e., those of its repeating units), we pretrain PolyConFM under the conditional generation paradigm, reconstructing these local conformations via masked autoregressive (MAR) modeling and further generating their orientation transformations to recover the corresponding polymer conformation. Meanwhile, we construct a linear polymer conformation dataset via molecular dynamics simulations to mitigate data sparsity, thereby enabling conformation-centric pretraining. Experiments demonstrate that PolyConFM consistently outperforms representative task-specific methods across diverse downstream tasks, thereby equipping polymer science with a powerful tool targeting linear polymers.
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All authors Fanmeng Wang, Ruochao Wang, Shan Mei, Wentao Guo, Hongshuai Wang, Qi Ou, Zhifeng Gao, Hongteng Xu