Superconductivity
Two distinct superconducting regimes in Ti4Co2O under pressures
Lifen Shi, Keyuan Ma, Binbin Ruan et al. (+8 more)
We report on the pressure dependence of superconducting transition temperature Tc and upper critical field Bc2(0) through electrical transport of the Ti4Co2O
superconductor (eg.,the superconducting transition temperature Tc = 2.5 K and the Bc2(0)=7.2T=2.9Tc). We find that the Tc exhibits non-monotonic pressure dependence:it rises monotonically at first with a pressure coefficient of dTc/dP=0.034 K/GPa, but rapidly decreases around 10-20 GPa, and then increases with the dTc/dP = 0.023 K/GPa, up to= 4.31 K at 69.7 GPa. Concurrently, the Bc2(0)exhibits a dome shaped pressure dependence, with its maximum at 5 GPa of almost twice the value at ambient pressure, exceeding the weak-coupling Pauli paramagnetic limit Bp throughout the whole pressure range. By comparing the normal-state and superconducting properties, we identify two distinct superconducting regimes, with a low-pressure superconducting phase characterized by an enhanced Bc2(0)values and
Fermi-
liquid normal-state electrical transport (the exponent n = 2), and a high-pressure superconducting phase with a monotonically increased Tc and an enhancement in
phonon scatterings (the exponent n = 4). Room-temperature synchrotron X-ray diffraction indicates that there is no structural transition up to 55.8 GPa, which gives a relatively large bulk modulus of 192 GPa in comparison with other
alloy superconductors. First-principles calculations suggest that the nonmonotonic Tc maybe closely related to the
evolution of the density of states of Ti4Co2O upon compression, which is different from those of isostructural
superconductors Ti4Ir2O and Nb4Rh2C. Our results show that even in the Ti4Co2O with weak
spin-orbit coupling, superconductivity remains highly sensitive to the external stimuli such as pressure.
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All authors Lifen Shi, Keyuan Ma, Binbin Ruan, Zhen Wang, Pengtao Yang, Zhian Ren, Jianping Sun, Gang Li, Fabian O. von Rohr, Bosen Wang, Jinguang Cheng
Materials Science
Polymorphic crystallites model for monolayer amorphous materials
Le-Ye Zhu, Xi Zhang, Yun-Peng Wang et al. (+4 more)
Establishing atomistic models of amorphous materials remains a central challenge in materials science. Here, we examine three representative multicomponent monolayer systems using first-principles-trained machine-learning potentials (MLPs) and an energy-guided Monte Carlo structural-search workflow. For monolayer amorphous boron nitride (maBN), independent density-functional-theory (DFT) single-point calculations confirm that the ensemble generated by the MLP-driven search is lower in energy on average than an extended-Tersoff-generated ensemble. Across the sampled maBN structures, local-ring classification combined with strict connected-domain analysis identifies h-BN-like, o-B$_2$N$_2$-like, and o-B$_4$N$_4$-like crystallite domains together with mixed medium-range order. Only individual samples containing at least two distinct phase-pure crystallite-domain types are classified as polymorphic crystallites. The same analysis finds coexisting hexagonal and tetragonal domains in monolayer amorphous LiCl and
graphene-like, h-BN-like, borophene-like, and mixed-order regions in monolayer amorphous BCN. Five-nanosecond MLP molecular-dynamics trajectories at 300 K show that the candidate structures are dynamically persistent on the simulated timescale. These results support a polymorphic-crystallite description for the selected model systems, while experimental discrimination from alternative continuous-random-network descriptions will require medium-range-order-sensitive measurements.
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All authors Le-Ye Zhu, Xi Zhang, Yun-Peng Wang, Jieheng Shi, Junwei Zhang, Shixuan Du, Yu-Yang Zhang
Materials Science
Reversible fully spin polarization in strain-engineered two-dimensional fully compensated magnets
Xiuli Zhang, Peng Jiang, Yurui Ma et al. (+6 more)
Achieving controllable
spin polarization and its reversal in
symmetry-compensated magnets. Here we demonstrate, using
symmetry analysis and a minimal tight-binding model, that uniaxial strain removes these constraints by inducing inequivalence between
magnetic sublattices in two-dimensional (2D) system, driving an altermagnetic (AM) state into a fully compensated ferrimagnetic (fFIM) state and enabling fully
spin polarization. Furthermore, strain along orthogonal directions gives rise to two energetically degenerate fFIM states with opposite
spin polarization, enabling reversible
spin switching. More importantly, the two
symmetry-related fFIM states can be regarded as distinct ferroelastic variants, suggesting that this model or mechanism can be extended to ferroelastic fFIM systems. The generality of this mechanism is confirmed by combining
spin-group analysis, first-principles calculations, and Boltzmann transport theory in representative candidates, including AM Mn$_2$SeO and ferroelastic fFIM V$_2$SO. Our results reveal a universal
symmetry-driven framework for strain-controlled and -reversible fully
spin-polarized transport and identify strain-engineered AM and ferroelastic fFIM systems as a promising platform for volatile and nonvolatile spintronic applications.
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All authors Xiuli Zhang, Peng Jiang, Yurui Ma, Xiaodong Zhou, Linlin Liu, Hong-Mei Huang, San-Dong Guo, Tengfei Cao, Yan-Ling Li
Materials Science
Surface segregation of liquid metal plasma-facing component alloys: A ReaxFF investigation
Md Adnan Mahathir Munshi, Abdul Aziz Shuvo, Mike Kotschenreuther et al. (+2 more)
Engineering
liquid metal
alloys offers a transformative pathway for
plasma-facing components (PFC) by enabling chemically tailored surfaces that can simultaneously optimize
plasma-material interactions, reduce divertor heat flux, and enhance core
plasma confinement, thereby advancing the commercial viability of
nuclear fusion power plants. This study, employing an atomistic simulation framework, provides direct evidence that incorporating non-metal surface-active
agents (such as O and H, or their combination) enables strong surface segregation. This capability makes tin-aluminum (Sn-Al) and tin-lithium (Sn-Li)
alloys, with suitable compositions, good candidates for PFC applications. Specifically, the presence of low-Z solutes (Li, Al) leads to preferential surface enrichment, which imparts low-Z sputtering characteristics, while the Sn solvent maintains thermophysical stability. To systematically examine this behavior, we first optimized ReaxFF parameter sets for Sn-Al, Sn-Al-O, Sn-Li, Sn-Li-O, Sn-Li-H, and Sn-Li-O-H systems. We validated them using formation energies and elastic constants. We then employed reactive molecular dynamics simulations to resolve the coupled effects of surface segregation and
impurity-driven chemistry at fusion-relevant temperatures. We also introduced an overlap-based segregation index that captures interfacial compositional separation directly from atomistic density distributions. This metric reveals a clear hierarchy of segregation regimes across all systems and presents a unified view of segregation across all observations reported herein. Together, these findings establish a mechanistic link between non-metal chemistry and interfacial structure, providing a predictive framework for designing self-adaptive, low-sputtering
liquid metal
alloys for fusion applications.
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All authors Md Adnan Mahathir Munshi, Abdul Aziz Shuvo, Mike Kotschenreuther, Adri C.T. van Duin, Bladimir Ramos-Alvarado
Soft Condensed Matter
Unraveling and controlling the self-assembly pathways of cubic colloids
Dillip Kumar Mohapatra, Teun W.J. Verouden and Janne-Mieke Meijer
The self-assembly of anisotropic building blocks into complex spatial architectures is an important design strategy in material science but the mechanisms by which the anisotropic interactions influence the early-stage growth and formation of disordered (non-)
equilibrium structures remain poorly understood. Here, we experimentally demonstrate that tuning the strength of shape-induced directional bonds changes the self-assembly pathways of cubic colloids. By tracking the growth kinetics and internal reorganizations of small clusters at increasing attraction strength, we identify three self-assembly regimes: (i) nucleation and growth regime: slow reorganization-dominated growth of crystalline clusters, (ii) dynamic regime:
diffusion-limited growth with dynamic cube reorganizations leading to disordered crystalline clusters and (iii) static regime:
diffusion-limited growth of kinetically arrested clusters unable to reorganize due to directional bonding constraints. We further show that transitions between these regimes are reversible and allow pathway engineering to control the structure and disorder. Our results reveal how directional bonding governs pathway selection, providing important insights for the rational design of reconfigurable colloidal, nano-, and biomaterials.
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Soft Condensed Matter
Hindered transport of spherical particles in cylindrical pores: The role of structural heterogeneity in rejection-permeability trade-offs
Debanik Bhattacharjee, Yaniv Edery and Guy Z. Ramon
Membrane separations rely on balancing rejection and permeability. Extensive work has clarified how pore structure and operating conditions control each quantity in idealized or weakly heterogeneous systems. However, it remains unclear how this trade-off emerges in strongly heterogeneous media, where coupled distributions of pore and particle sizes shape the local balance between advection and
diffusion and generate substantial variability in performance among distribution realizations. Here we present a steric hindered-transport framework for spherical particles in cylindrical pores that explicitly resolves both single and coupled dual heterogeneity in size distributions. We show that the ensemble-averaged rejection increases with the particle-pore aspect ratio $\lambda$ and with the Péclet number $Pe$, while advection enhances steric exclusion by up to $\sim$20% at intermediate $\lambda$. Dual heterogeneity broadens the distribution of effective $Pe$, increases the variability and incidence of anomalous rejection trends, while systematically shifting the rejection-permeability trade-off toward higher permeability at fixed rejection. These results suggest that controlled heterogeneity can serve as a design lever to expand the attainable operating space for simultaneous high selectivity and high throughput.
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Mesoscale and Nanoscale Physics
Orbital-Splitter Current in Altermagnets
Koushik Ghorai, Sayan Sarkar and Amit Agarwal
In collinear altermagnets, the real-space rotational
symmetry of opposite
spin sublattices generates a large nonrelativistic
spin-splitter current. Orbital transport in this setting has remained largely unexplored. Here, we introduce the orbital-splitter current (OSC), an orbital analogue of the
spin-splitter current, and derive its Drude and orbital Berry
curvature contributions using a density-
matrix framework. We show that the $d$-wave altermagnet $\mathrm{FeSb}_2$ realizes a purely intrinsic OSC because mirror
symmetries suppress the Drude channel by forcing the orbital
magnetic moment to vanish. The OSC response is strongly anisotropic and, for selected field orientations, exceeds the
spin-splitter current by nearly a factor of four. We further show that the OSC generates a damping-like torque in an altermagnet-ferromagnet
heterostructure and, when combined with the
spin-splitter current, significantly reduces the magnetization switching time.
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Materials Science · Cross-listed from cs.CE
On the role of crack electrolyte wetting in the degradation and performance of battery active particles
S. Luza-Vega, Y. Zhao and E. Martínez-Pañeda
Cathode particle fracture is widely recognised as a major degradation mechanism in lithium-ion batteries, yet cracking also permits electrolyte wetting of newly exposed internal surfaces, modifying interfacial reaction pathways. The mechanistic role of electrolyte wetting in redistributing reactions within cracked particles remains unclear. Here, we isolate this effect through a controlled comparison between (i) a fully coupled electro-chemo-mechanical model resolving lithium concentration, electrostatic potential, and stress fields in both the active material and the electrolyte inside and outside cracks, and (ii) a single-particle chemo-mechanical model employing the conventional uniform flux assumption. The coupled model predicts strong spatial heterogeneity in interfacial reaction rates, with flux amplification approximately 8x relative to the imposed uniform flux at the crack tip. Reaction redistribution, and thus lithium flux, is governed predominantly by local solid-state lithium concentration and stress variations, while electrolyte potential gradients inside cracks remain secondary under the conditions considered. Uniform flux models can underpredict delivered capacity by 25% at 1C-rate; this discrepancy increases at higher rates. They also underestimate tensile stresses throughout the delithiation process by 10%, directly affecting crack driving conditions. These results demonstrate that neglecting crack-electrolyte coupling leads to systematic underestimation of both utilisation limits and fatigue-relevant stress histories.
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Strongly Correlated Electrons
Field-induced metal-insulator transition, Chern insulators, and topological semimetals in a clean magnetic semiconductor GdGaI
Kazuki Guzman and Hiroaki Ishizuka
Non-coplanar
magnetic order in low-carrier-density
semiconductors provides a platform on which
spin-charge coupling can reshape the electronic structure and induce nontrivial topological phases. Motivated by the recent discovery of the four-sublattice triple-$q$ order in the
magnetic semiconductor GdGaI, we study an effective theory that couples a Ga $4p$ hole pocket at the $\Gamma$ point to three Gd $5d$ electron pockets at the $M$ points through four exchange channels. For the
antiferromagnetic umbrella state with zero net magnetization, the model hosts trivial ($C = 0$) and $C = \pm 4$ Chern
insulator phases separated by metallic regions; by deriving an analytical low-energy theory at the $\Gamma$ point, we show that the topological phase boundary is described by two degenerate double-Weyl semimetals, naturally explaining the $\Delta C = 4$ jump in the Chern number. In addition, a nodal-line-like state pinned near the
Fermi level emerges in the absence of the $p$-$d$ exchange coupling, which separates the $C=\pm4$ phases for $\theta=\arccos(1/3)$ into two. Tuning the canting angle by an external
magnetic field drives an
insulator-to-metal transition out of the Chern
insulator phase while leaving the trivial
insulator largely intact, and stabilizes an additional $C = \pm 2$ Chern
insulator phase when the uniform-magnetization exchange couplings become appreciable. These results identify GdGaI and its sister compounds as highly tunable platforms for realizing topological phases and field-induced metal-
insulator transitions in clean
magnetic semiconductors.
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Mesoscale and Nanoscale Physics
Coherent exciton spin dynamics and three-dimensional quantum state tomography in a single InAlAs quantum dot
J. Njala, Y. Yamamoto, R. Kaji et al. (+2 more)
We investigate the coherent
exciton spin dynamics in a single InAlAs/AlGaAs
quantum dot using time-resolved
quantum state
tomography. Under two-LO-
phonon quasi-resonant excitation of neutral
exciton, we observe pronounced
quantum beats in the circular and diagonal polarization components, reflecting the fine-structure splitting ($\Delta \approx 19.6 \ \mu\text{eV}$). By employing a global fitting procedure across three orthogonal polarization bases, we demonstrate that the
spin evolution is consistently described by a unified
Hamiltonian dominated by the anisotropic exchange interaction. While the initial degree of circular polarization is limited to $\approx 0.28$ due to fast relaxation processes during carrier cooling, the subsequent dynamics reveal a long-lived
spin coherence ($1.1 \pm 0.2$ ns) that exceeds the
exciton lifetime ($\sim 767$ ps). Our analysis reveals that the
spin-formation time is significantly shorter than the instrument response function, and the absence of a discernible Overhauser shift confirms a negligible influence from the local
nuclear environment under the present conditions. These results provide a quantitative
benchmark for the three-dimensional reconstruction of
spin trajectories using differential polarization signals, demonstrating the feasibility of using quasi-resonant excitation for stable
spin initialization in
semiconductor nanostructures.
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All authors J. Njala, Y. Yamamoto, R. Kaji, S. Adachi, H. Sasakura
Materials Science
Compositionally tuned phase transformations enhance pyroelectric energy harvesting from low-grade heat
Ruiheng Geng, Ka Hung Chan, Xinyue Huang et al. (+6 more)
Phase-transforming pyroelectric materials have emerged as promising candidates for low-grade thermal energy harvesting. However, whether first-order transformations with large pyroelectric coefficient or second-order transformations with better reversibility are preferable remains unclear. Here we report compositionally tunable phase transformations in Ba$_{1-x}$Sr$_x$TiO$_3$ ($x \in [0, 0.3]$), revealing
evolution from first-order to second-order character. We identify a transitional regime between Sr$_{0.15}$ and Sr$_{0.22}$ where transformation mechanism fundamentally changes. Within this regime, Sr$_{0.19}$ achieves optimal
lattice compatibility, exhibiting electrical leakage suppressed by over two orders of magnitude while retaining substantial polarization response. Energy conversion demonstrations show the multilayer Sr$_{0.19}$ device delivers pyroelectric current of $\sim$1.6 $\mu$A at 64$~^\circ$C with an energy density of 1.6 mJ/cm$^3$ per cycle and 5.5% conversion efficiency. Remarkably, this composition operates stably over 10,000 full energy conversion cycles without external bias field or recharging, demonstrating that transitional regime compositions provide the optimal balance between energy density and operational durability for practical low-grade heat harvesting.
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All authors Ruiheng Geng, Ka Hung Chan, Xinyue Huang, Nobumichi Tamura, Faqiang Zhang, Wanjia Han, Yang Zhang, Chenbo Zhang, Xian Chen
Statistical Mechanics
Directed percolation in nuclear safety
V. V. Ryazanov
Neutron behavior in a
nuclear reactor is described using a directed percolation model. The preferred direction is created by time-oriented
neutron generations. Using the time required to reach a dangerous
neutron flux limit or reactor power limit as an example, it is shown that, in certain situations, the proposed approach can detect events hazardous to reactor safety that are undetectable by traditional reactor safety systems. The capabilities and limitations of the proposed approach are outlined.
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Materials Science
A Fully Ab-Initio Spin-Lattice Dynamics Framework for Magnetic Materials
Xianxi Zhang, Hongyu Yu, Liangliang Hong et al. (+1 more)
Coupled
spin-
lattice dynamics (SLD) underlie a wide range of
magnetic phenomena, yet a unified first-principles framework that propagates both degrees of freedom without empirical parameterization has remained elusive. We present a fully ab initio SLD approach integrated into VASP, in which interatomic forces and effective
magnetic fields are obtained at each time step from self-consistent constrained-moment density-functional calculations. The method is validated on four materials spanning
ferromagnetic, non-collinear, and geometrically frustrated orders, recovering the correct
magnetic ground state in every case from random initial conditions. SLD trajectories also provide physically correlated training data for
magnetic machine-learning potentials, as demonstrated for BiFeO$_3$ by a reduction of up to approximately one order of magnitude in energy MAE over training on randomized
spin configurations. This framework opens a practical first-principles route to finite-temperature
spin-
lattice coupled phenomena in
magnetic materials.
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All authors Xianxi Zhang, Hongyu Yu, Liangliang Hong, Hongjun Xiang
Materials Science
Spin-orbit coupling effects in altermagnets: Interplay of weak spin and orbital ferromagnetism with relativistic splitting of electron states
L. M. Sandratskii, K. Carva and V. M. Silkin
The aim of the paper is to contribute to reaching a deeper understanding of the formation of relativistic effects in altermagnets. The focus of the paper is on the phenomena of weak ferromagnetism (WFM) and relativistic DFT calculations combined with the
symmetry analysis on the basis of
spin space groups. The consideration is performed on two different levels. On the first level, the atomistic
magnetic structure of weak
ferromagnetic state is calculated. Both
spin and orbital atomic moments are taken into account. We study the dependence of the WFM moment on the strength of the SOC and obtain a peculiar nonmonotonous type of dependence. An interesting result is obtained in quasisymmetry (QS) calculation where only the component of the SOC collinear to the Néel vector is taken into account. In QS calculation the
spin WFM is absent while the orbital WFM is present. This reveals a principal difference in the formation of the
spin and orbital
magnetic moments. On the second level, the study is focused on the properties of individual electron states. We introduce the notion of the
magnetic structure of the electron state (MSES). It is shown how the collinear
spin-MSESs of both metal and ligand atoms and compensated orbital-MSES of the ligand obtained in the nonrelativiatic calculation transform into complex noncollinear 3D MSESs of both
spin and orbital nature. An important role in the formation of MSESs is played by the relativistic splitting of the accidental
spin degeneracies at general k points filling the volume of the Brillouin zone. The formation of the regions of avoided crossings in the relativistic band structure is related to the nonmonotonous behavior of the WFM moment. The importance of the metal-ligand hybridization in the formation of the AM properties is discussed. Most of the calculations are performed for MnTe.
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Statistical Mechanics · Cross-listed from q-bio.PE
Emergent population dynamics of random walkers with cooperative reproduction and spatial selection
Ohad Vilk and Baruch Meerson
We extend the $N$ branching Brownian motions model of population invasion to higher-order asexual reproduction. Increasing reproduction order leads to qualitative changes: invasion fronts generically cease to exist beyond binary reproduction; and in the binary case itself, their speed becomes
diffusion-independent. Ternary reproduction shows critical behavior, with collapse into a strongly localized `invasion bullet' in the supercritical regime, diffusive spreading in the subcritical regime, and a continuous family of fronts at criticality. These results suggest that the dominance of division and binary reproduction in nature reflects fundamental constraints on invasion dynamics.
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Materials Science
Geometric Percolation Threshold Defines Half-Metallic Window in Vacancy-Doped Titanium disulfides
Shrestha Dutta and Rudra Banerjee
Defect engineering of two-dimensional materials routinely produces local
magnetic moments, yet itinerant half-metallic ferromagnetism remains elusive – experiments frequently yield paramagnetic
insulators. We resolve this paradox for vacancy-doped monolayer $1T$-\ptis~by demonstrating that the
insulator-to-half-metal transition is governed by universal
geometric percolation of the defect network, extending the percolation framework established for three-dimensional diluted
magnetic semiconductors into the 2D vacancy-doped regime. Half-
metallicity emerges via a two-step mechanism:
crystal-field
symmetry breaking ($O_h \to C_{4v}$) selectively stabilizes the Ti $3d_{z^2}$ orbital, generating robust local moments ($0.94~\mu_B$), but
spin-polarized transport requires these moments to form a spanning cluster. At critical vacancy concentration $x_c \approx 12.5\%$, a percolation transition drives the majority-
spin impurity band from flat, localized levels ($W < 0.1$~eV) to a dispersive 1.5~eV-wide band with 100%
spin polarization and a minority-
spin gap of 1.0~eV. The percolation mechanism is independently corroborated by a striking supercell-size effect: at identical concentration, $2\times2$
cells yield
antiferromagnetic order while $4\times4$
cells mandate ferromagnetism, reflecting the presence or absence of a spanning cluster. We estimate a Curie temperature exceeding 300~K from the exchange coupling, and identify a
geometric jamming instability at $x > 20\%$ that fragments the network. These results define a narrow functional window ($11\% < x < 15\%$) for half-metallic operation and establish
geometric connectivity as a quantitative design principle for defect-engineered 2D spintronics.
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Materials Science
Universal Design Principles for High-Quality Persistent Spin Textures
Cheng-Ao Ji, Lingling Tao, James M. Rondinelli et al. (+1 more)
Persistent
spin texture (PST) describes a unique
spin-momentum locking in momentum space that maintains a uniform
spin orientation through portions of the Brillouin zone (BZ), enabling exceptionally long
spin lifetimes which are essential for applications in spintronics. However, materials exhibiting large BZ regions of high-quality PST, characterized by minimal
spin deviation and long
spin lifetimes, remain scarce. Here a universal model is introduced to capture the formation of superior PST regions arising from the interplay of
spin-orbit fields at different k points. Within this framework, high-quality PSTs are identified in several systems belonging to various point groups. Notably, the nonpolar-
chiral compound Na2Sn2O3 exhibits ~0.02 Å-2 high-quality PST region, which can be reversed by the switching of
geometric chirality, while AgClO4 (D2d
symmetry) exhibits a 0.016 Å-2 PST region. Significantly, Na2Sn2O3 and AgClO4 host persistent
spin helices with
spin lifetimes of 0.5-7.4 ns and 0.9-2.5 ns, respectively, among the longest reported for PST materials. In addition, both chemical substitutions and the application of pressure are demonstrated as effective routes for engineering high-quality PST. Our findings not only establish a universal principle for high-quality PST, but also provide promising materials across various point groups for the next-generation spintronic devices.
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All authors Cheng-Ao Ji, Lingling Tao, James M. Rondinelli, Xue-Zeng Lu
Materials Science
Physics-Constrained Learning of Dose-Dependent Spectral Degradation in Metal–Organic Frameworks from In Situ Low-Loss EELS
Gabriel T. dos Santos, Roberto dos Reis and Vinayak P. Dravid
Electron-beam irradiation limits atomic-resolution characterization of beam-sensitive hybrid materials, yet quantitative models that connect in situ spectroscopy to dose-dependent degradation remain scarce. Here we use a physics-informed neural network (PINN) to model beam-induced spectral
evolution in MIL-101(Fe) from an in situ low-loss electron energy-loss spectroscopy (EELS) dose series. Each spectrum is reduced to fixed-window low-loss descriptors, $\tilde n_{\mathrm{eff},j}(\Phi)=\int_{\mathcal{W}_j}S(E,\Phi)\,dE$, evaluated over nominal $\pi$–$\pi^{*}$, C–C, C–O, and M–O windows. These descriptors are relative window-integrated low-loss spectral areas, not absolute f-sum-rule effective electron numbers. For each spectral channel, a latent integrity variable $C_i(\Phi)$ obeys the same uncoupled power-law degradation equation in normalized dose space, $dC_i/d\phi=-k_i C_i^{p_i}$, regularized by monotonicity, boundedness, and a single hierarchy prior $k_{\mathrm{C\text{-}O}}\geq k_{\mathrm{C\text{-}C}}$. Applied to nine dose frames spanning 152–1368~e$^-$/Å$^2$, the ensemble PINN identifies C–O and C–C as the most strongly dose-sensitive linker-associated channels, with half-integrity thresholds of approximately $1.0\times10^3$~e$^-$/Å$^2$. The 1–3~eV $\pi$–$\pi^{*}$-labelled window increases with dose and is therefore interpreted as a mixed low-energy response, likely involving oscillator-strength redistribution rather than direct monotonic loss of a single bond population. The framework provides a dose-dependent, spectroscopy constrained description of MOF degradation while also defining the limits of what fixed-window low-loss EELS can assign without independent chemical-state validation.
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Materials Science
Spin caloritronics: History and future prospects of experiments
Ken-ichi Uchida and Takamasa Hirai
Since the beginning of the 21st century, novel energy conversion and control principles utilizing the
spin degree of freedom have been discovered in the field of
spin caloritronics, which integrates spintronics with thermal transport and thermoelectric properties. In this article, we review the history of development of
spin caloritronics and experimental studies on various transport phenomena caused by heat-charge-
spin interactions. We then discuss future prospects in
spin caloritronics from the viewpoints of measurement techniques, physics, materials science, and engineering applications.
Spin caloritronics is now at a turning point, transitioning from fundamental condensed matter physics to materials science, and further development is anticipated in both fundamental and applied research.
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Strongly Correlated Electrons
Topological Ising superconductivity in two-dimensional p-wave magnet
Kyoung-Min Kim, Gibaik Sim and Moon Jip Park
Fermi-surface
spin splitting generated by non-relativistic exchange fields provides a new route to topological superconductivity without relying on strong
spin-orbit coupling. Here, we study superconducting instabilities of a square-
lattice $p$-wave magnet with onsite and nearest-neighbour attractive interactions. The odd-parity exchange field removes inversion
symmetry in the
spin-split electronic structure, mixing singlet and triplet order parameters within a single
symmetry channel. The leading instability is a mixed-parity A$_1$ Ising state, in which singlet components coexist with the $p_x$-wave triplet component, whose $d$-vector is locked along the exchange-field axis. As the nearest-neighbour attraction grows, this Ising state undergoes a transition into a nodal topological superconducting phase with Majorana edge modes protected by momentum-resolved winding numbers. These modes extend over finite momentum intervals bounded by the surface projections of bulk point nodes. We further show that a Zeeman field perpendicular to the exchange field can induce a $\mathbb{Z}_2$ topological superconducting phase. Our results identify $p$-wave magnets as a versatile testbed for topological superconductivity driven by non-relativistic
spin splitting.
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Materials Science
Generalized continuum theory of phonon angular momentum in crystals
Mamoru Matsuo, Naoki Nishimura, Ai Yamakage et al. (+1 more)
We formulate a generalized continuum theory of
phonon angular momentum in
crystals by introducing a local SO(3) material frame in addition to the macroscopic displacement field. The local frame represents rotational optical degrees of freedom of the unit
cell and brings acoustic displacement modes and optical rotational modes into a common long-wavelength continuum description. In the linearized limit, the co-rotated deformation gradient and the rotational gradient associated with the local material frame recover the Eringen microdeformation and wryness tensors; isotropic micropolar elasticity then appears as a special case. Rotational
symmetry and Noether's
theorem determine the continuum
phonon angular-momentum density, including both the displacement-polarization contribution and the intrinsic microrotation contribution. The theory further identifies the locking limit in which microrotation reduces to
lattice vorticity and the improper-
symmetry-breaking terms responsible for
chiral phonon splitting.
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All authors Mamoru Matsuo, Naoki Nishimura, Ai Yamakage, Takeo Kato
Superconductivity
Metallic crossover through the tilt-free transition in La$_3$Ni$_2$O$_7$ at high pressure and temperature
Bastien Michon, Yingpeng Yu, Beatrice D'Alò et al. (+8 more)
La$_3$Ni$_2$O$_7$, a
bilayer nickelate with Ruddlesden-Popper structure, undergoes a pressure-induced structural transition from a tilted Amam phase to an untilted Fmmm (or I4/mmm) phase near 10-15 GPa, concomitant with the emergence of high-T$_c$ superconductivity ($T_c \sim 80$ K). Despite intense interest, the phase boundaries and the impact of structural changes on the electronic properties remain unclear. Here, we combine high-pressure and high-temperature Raman and synchrotron-based infrared spectroscopies to map the structural and electronic evolutions. Raman measurements confirm the pressure-driven structural transition and reveal the emergence of Fano line shapes, indicating enhanced electron-
phonon coupling. High-temperature data show analogous spectral signatures above 544 K, suggesting an upper temperature limit of the Amam phase within the T-P phase diagram of this system. Infrared reflectivity measurements evidence a concomitant enhanced
metallicity, with a tremendous two-order-of-magnitude increase in carrier density, marking a crossover from a weakly to highly metallic state. These results establish a unified picture of the structural transition and its strong coupling to the electronic properties.
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All authors Bastien Michon, Yingpeng Yu, Beatrice D'Alò, Elena Stellino, Gergely Németh, Bosen Wang, Jianping Sun, Jinguang Cheng, Paolo Postorino, Ferenc Borondics, Francesco Capitani