Showing 1–50 of 490 results for author: Gao, Y

Writing and erasing skyrmions by single ultrafast laser pulses in monolayer Janus 2D magnets

Authors: Guangyao Miao, Yonglong Ga, Chang Liu, Pan Chen, Yichen Jin, Florian Kronast, Wenxin Cheng, Zhaoqing Ding, Kai Hu, Zongnan Zhang, Nikolai Severin, Chenxi Meng, Patil Shubhada, Sergio Valencia, Meng Meng, Qinlin Guo, Xiaoran Liu, Jiandi Zhang, Yangmu Li, Carlos-Andres Palma, Jürgen P. Rabe, Hongxin Yang, Weihua Wang, Jiandong Guo

Abstract: Skyrmions in 2D magnets are promising candidates for nonvolatile, low-power, and high-density spintronic memories. However, their experimental realization at the 2D limit remains challenging, owing to the difficulty in engineering the required chiral magnetic interactions. Here, we report the creation and direct imaging of Néel-type skyrmions in Janus 2D chromium chalcogenides using synchrotron X-… ▽ More Skyrmions in 2D magnets are promising candidates for nonvolatile, low-power, and high-density spintronic memories. However, their experimental realization at the 2D limit remains challenging, owing to the difficulty in engineering the required chiral magnetic interactions. Here, we report the creation and direct imaging of Néel-type skyrmions in Janus 2D chromium chalcogenides using synchrotron X-ray photoemission electron microscopy, and scanning nitrogen-vacancy magnetometry, which exhibit field-free stability, nonvolatility, and size tunability. First-principles calculations and micromagnetic simulations reveal that Janus-surface-induced inversion-symmetry breaking enhances the Dzyaloshinskii-Moriya interaction, providing the microscopic mechanism for skyrmion stabilization and tunability. We further achieve reversible skyrmion writing and erasing using a single ultrafast laser pulse in a magnetic field as low as 300 Oe, demonstrating the excellent manipulability of this 2D magnetic system. These results establish Janus engineering as a route to creating and manipulating nonvolatile skyrmions in atomically thin magnets, with implications for skyrmion-based low-power spintronic devices. △ Less

Submitted 18 August, 2026; originally announced August 2026.

Windmill Spin Dynamics and Its Induced Anomalous Hall Effect in Noncollinear Antiferromagnet Mn3Sn

Authors: Jikun Zhou, Yang Gao, Qian Niu

Abstract: We demonstrate that the spin dynamics of the noncollinear antiferromagnet Mn3Sn hosts a soft eigenmode that transitions from small-angle oscillation to a large-angle, chiral windmill precession once the canting angle exceeds a threshold set by the bending of the spin order. This windmill precession has a fixed chirality of motion, which couples to conduction electrons via a Berry connection polari… ▽ More We demonstrate that the spin dynamics of the noncollinear antiferromagnet Mn3Sn hosts a soft eigenmode that transitions from small-angle oscillation to a large-angle, chiral windmill precession once the canting angle exceeds a threshold set by the bending of the spin order. This windmill precession has a fixed chirality of motion, which couples to conduction electrons via a Berry connection polarizability in the mixed space of momentum and spin order, generating a nonzero Berry curvature. This Berry curvature produces a time-independent, DC anomalous Hall effect that persists throughout windmill precession, in sharp contrast to the vanishing Hall response of the static equilibrium spin order when the Hall plane coincides with the Kagome plane. Our results establish a direct link between spin group symmetry, nonlinear spin dynamics, and quantum geometric transport in noncollinear antiferromagnets. △ Less

Submitted 25 August, 2026; v1 submitted 17 August, 2026; originally announced August 2026.

Emergent trans-moiré orbitals and topology in rhombohedral graphene

Authors: Yuqin Wang, Jian Xie, Yi-Jie Wang, Jiajun Zhang, Yiting Gao, Zaizhe Zhang, Da Yi, Yan Xie, Jingjing Shi, Guanqin Zhao, Chengyu Xiong, Kenji Watanabe, Takashi Taniguchi, Zhi-Da Song, Xiaobo Lu, Yi Chen

Abstract: The fractional quantum anomalous Hall effect (FQAHE) exhibited in fractional Chern insulators has recently been demonstrated in twisted MoTe2 and rhombohedral graphene/hBN moiré superlattices, promising new routes toward topological quantum computation. Central to realizing this promise is the understanding of the underlying microscopic mechanism. This, however, remains elusive in the case of rhom… ▽ More The fractional quantum anomalous Hall effect (FQAHE) exhibited in fractional Chern insulators has recently been demonstrated in twisted MoTe2 and rhombohedral graphene/hBN moiré superlattices, promising new routes toward topological quantum computation. Central to realizing this promise is the understanding of the underlying microscopic mechanism. This, however, remains elusive in the case of rhombohedral graphene, with the crux being its two seemingly paradoxical conditions: a pronounced small-twist-angle (θ) moiré interface, yet only when electrons are kept distant from it. Here, by scanning tunnelling microscopic imaging with both conditions fulfilled, we capture dramatic electronic structure reshaping in rhombohedral hexalayer graphene by unforeseen 'trans-moiré orbitals', which emerge on the other, distant side of the moiré interface but nevertheless enforce the moiré periodicity at all measured fillings. We visualize a hierarchy of spatially and energetically distinct trans-moiré orbitals which doped electrons must sequentially occupy--the lowest-energy orbital, expectedly responsible for the FQAHE at small fillings, carries a hollow-cage-like shape. Remarkably, these trans-moiré orbitals vanish at θ {\gtrsim} 1°, and so do QAHE plateaus in similar devices. Simulations reveal an interaction-driven charge-redistribution mechanism which shapes the trans-moiré orbitals and corresponding Chern minibands. With our findings providing the missing microscopic link, the paradoxical conditions find a natural explanation: electrons are not simply kept distant from a small-θ moiré interface; they are forced into topological trans-moiré orbitals, forged precisely under such conditions. Our microscopic diagnostics unlocks a wide range of possible 'synthetic' FQAHE platforms. △ Less

Submitted 19 August, 2026; v1 submitted 12 August, 2026; originally announced August 2026.

Organizing Principles for Moiré Quantum Matter

Authors: Qiaoling Xu, Yifan Gao, Tao Zhang, Ammon Fischer, Yi Jiang, Hanqi Pi, Zike Fan, Dongdong An, Kun Zhou, Yingjian Li, Yongqing Li, Yuhao Fu, Lei Wang, Lijun Zhang, B. Andrei Bernevig, Dante M. Kennes, Enge Wang, Angel Rubio, Lede Xian

Abstract: Moiré flat bands in van der Waals bilayers are usually discussed through a small set of mechanisms associated with the $Γ$ and $K$ valleys of hexagonal crystals, and more recently with $M$-valleys systems. Here we show that this view is incomplete. The momentum-space location and effective local orbital character of the monolayer's band edge, in conjunction with the moiré symmetry and the symmetry… ▽ More Moiré flat bands in van der Waals bilayers are usually discussed through a small set of mechanisms associated with the $Γ$ and $K$ valleys of hexagonal crystals, and more recently with $M$-valleys systems. Here we show that this view is incomplete. The momentum-space location and effective local orbital character of the monolayer's band edge, in conjunction with the moiré symmetry and the symmetry representations of the resulting bands, provide a general set of organizing variables for the emergent low-energy moiré Hamiltonian. Applying fully relaxed first-principles calculations, band unfolding and symmetry-representation analysis to more than 600 commensurate twisted bilayers spanning all 2D lattice classes, we identify several routes to moiré quantum matter beyond the conventional single-orbital paradigm. The resulting flat bands realize trigonal, honeycomb, square, checkerboard and kagome-like Hubbard models with single-orbital, multi-orbital and multi-site Hilbert spaces; spin-orbit-coupled multi-orbital flat bands exhibit symmetry-indicated topology beyond the conventional $K$-valley setting; and nonsymmorphic moiré symmetries enforce semimetallic flat-band connectivity. Analogous quasi-one-dimensional flat-band structures are found in $M$-valley hexagonal systems and $X$-valley square or rectangular systems resulting from emergent momentum-space nonsymmorphic symmetries. Separately, coupled multi-valley manifolds with kagome-like connectivity are identified in several systems whose parent band edges lie at non-high-symmetry points. These results establish a valley-orbital-symmetry framework for connecting parent-material electronic structure to emergent moiré Hamiltonians relevant to correlated, topological and symmetry-enforced moiré phases. △ Less

Submitted 27 July, 2026; originally announced July 2026.

Comments: 20 pages, 5 figures

STEP: Spin Tensor Equivariant Potential for Data-Efficient Learning of Magnetic Potential Energy Surfaces

Authors: Yuanqing Gao, Wen-Hao Luo, Lei Zhang, Kun Cao

Abstract: Accurate and efficient modeling of magnetic potential energy surfaces remains challenging because spin-polarized first-principles calculations for diverse non-collinear spin-lattice configurations are computationally demanding. Here we introduce the Spin Tensor Equivariant Potential (STEP), a magnetic machine-learning interatomic potential that treats vector magnetic moments as continuous geometri… ▽ More Accurate and efficient modeling of magnetic potential energy surfaces remains challenging because spin-polarized first-principles calculations for diverse non-collinear spin-lattice configurations are computationally demanding. Here we introduce the Spin Tensor Equivariant Potential (STEP), a magnetic machine-learning interatomic potential that treats vector magnetic moments as continuous geometric degrees of freedom and embeds them in an equivariant representation. By coupling the central spin representation to its local spin-lattice environment through a Center-Environment Tensor Product, STEP introduces a physics-informed bias while preserving translational invariance and $\mathrm{SO}(3)$ equivariance and supporting feature-level time-reversal symmetrization. Learning-curve analysis on monolayer CrI$_3$ shows that STEP achieves pronounced data efficiency, with higher-order tensor channels and iterative center-environment couplings leading to steep learning curves for energy, force, and magnetic force errors. On public FeAl, CrN, and Fe benchmarks, STEP achieves competitive or improved accuracy compared with recent magnetic machine-learning potentials. Using a compact but representative CrI$_3$ dataset, STEP reproduces phonon dispersions and magnon spectra with high fidelity, capturing subtle anisotropic magnetic interactions. For Fe$_2$Mo$_3$O$_8$, STEP further provides a quantitative description of magnon--phonon hybridization and reproduces its characteristic magnon polaron dispersion. Finally, spin dynamics simulations driven by STEP yield Curie temperatures for monolayer CrI$_3$ and bcc Fe in good agreement with experiments. These results establish STEP as a physically informed, data-efficient, and scalable framework for modeling spin-lattice coupling, magnetic excitations, and finite-temperature magnetic behavior. △ Less

Submitted 19 July, 2026; originally announced July 2026.

Phonons in low-dimensional confined systems: Emergent non-reciprocity in 1D

Authors: Yuan Gao, K. A. Muttalib

Abstract: An important feature of solid-state or cold atom systems in low dimensions is the restricted oscillations of ionic/atomic degrees of freedom in the confining directions, for which the conventional phonon from canonical quantization is not an ideal description. In this work we propose a general recipe to introduce this feature to otherwise unrestricted systems by mapping displacement fields to spin… ▽ More An important feature of solid-state or cold atom systems in low dimensions is the restricted oscillations of ionic/atomic degrees of freedom in the confining directions, for which the conventional phonon from canonical quantization is not an ideal description. In this work we propose a general recipe to introduce this feature to otherwise unrestricted systems by mapping displacement fields to spin degrees of freedom. We demonstrate the validity of the approach with a 1D harmonic chain, and the results lead to massive Dirac fermions at long distances, showing the absence of acoustic modes as the signature of confined out-of-plane motion of the entire chain. We then introduce a short-range interaction via anharmonicities and show that for energy scale slightly above the gap, it gives rise to a (quantum) phase transition to a nonreciprocal state with spontaneous time reversal symmetry breaking (TRSB) of the type $\hat{T}^2=+1$. Despite the non-conserved total particle number, the model holds an under-appreciated $U(1)$ symmetry with conserved "polarization charge", so that the nonreciprocity can be probed by measuring the change of inductivity to artificial gauge fields in and out of the ordered phase. △ Less

Submitted 15 July, 2026; originally announced July 2026.

Electron-beam Writing of Spectrally Uniform Green Single-photon Emitters in Hexagonal Boron Nitride

Authors: Qingsong Tao, Fuyi Zhou, Zhijie Li, Yihao Yan, Shuangyue Li, Yuelan Gao, Zijing Wu, Yizhou Liu, Tao Liang, Shuai Yuan, Dakun Wu, Hongzhi Zhou, Qi Zhang, Zhenyi Ni, Chunlei Yu, Pan Wang, Fei Yu, Lili Hu, Ning Zhou

Abstract: Scalable quantum photonic technologies require single-photon emitters whose positions and emission energies can be engineered simultaneously. Hexagonal boron nitride (hBN) is an attractive room-temperature host, but deterministic creation of spectrally reproducible emitters remains challenging. Here, we use a standard scanning electron microscope as a direct-writing tool to activate bright green s… ▽ More Scalable quantum photonic technologies require single-photon emitters whose positions and emission energies can be engineered simultaneously. Hexagonal boron nitride (hBN) is an attractive room-temperature host, but deterministic creation of spectrally reproducible emitters remains challenging. Here, we use a standard scanning electron microscope as a direct-writing tool to activate bright green single-photon emitters in hBN at predefined sites, without ion implantation or post-fabrication thermal annealing. The written emitters exhibit reproducible zero-phonon-line emission centered near 536 nm, room-temperature antibunching with g(2)(0) as low as 0.08, high brightness, strong linear polarization, and stable emission. Thickness-dependent activation, stacking experiments, cathodoluminescence spectroscopy, and first-principles calculations support a carbon-related defect complex as the most plausible origin of the emission. As a proof of nanophotonic compatibility, we further activate emitters in a nanoparticle-on-mirror plasmonic nanocavity and observe photoluminescence enhancement accompanied by shortened emission lifetimes. These results establish electron-beam direct writing as a practical route to site-selective, spectrally uniform green quantum emitters in hBN, offering a promising basis for integrated room-temperature quantum photonic architectures. △ Less

Submitted 2 July, 2026; originally announced July 2026.

Ultrafast Demagnetization Governed by Spin Fluctuations in CaRuO$_{3}$/SrTiO$_{3}$ Superlattice

Authors: Yu-Han Gao, Wen-Xiao Shi, Yuan-Sha Chen, Ji-Rong Sun, Qing-Lin Yang, Xu Yang, Zhuo Deng, Peng-Tao Yang, Zheng Chang, Hong-Mei Feng, Wei He, Xiang-Qun Zhang, Zhao-Hua Cheng

Abstract: For ultrafast magnetization switching devices, critical slowing down in conventional ferromagnets near their Curie temperature constitutes a key challenge that must be overcome. In contrast to this typical behavior, we observe an anomalous acceleration of demagnetization in CaRuO$_{3}$/SrTiO$_{3}$ superlattices, a moderately correlated weak itinerant ferromagnet. The demagnetization rate increases… ▽ More For ultrafast magnetization switching devices, critical slowing down in conventional ferromagnets near their Curie temperature constitutes a key challenge that must be overcome. In contrast to this typical behavior, we observe an anomalous acceleration of demagnetization in CaRuO$_{3}$/SrTiO$_{3}$ superlattices, a moderately correlated weak itinerant ferromagnet. The demagnetization rate increases with rising temperature, pump fluence, and applied magnetic field. To explain these anomalous phenomena, we develop a phenomenological model integrating the three-temperature model with self-consistent renormalization theory. Because the intrinsic gradient magnetism of the superlattice suppresses the typical divergence of specific heat, the conventional thermodynamic bottleneck is bypassed. Our model reveals that this decoupling enables the ultrafast dynamics to be predominantly governed by the spin-fluctuation-driven enhancement of the electron-spin scattering vertex. Our work demonstrates how spatial inhomogeneity can decouple macroscopic thermodynamic singularities from microscopic scattering processes, offering a new paradigm for manipulating ultrafast spin dynamics in correlated quantum materials. The pronounced sensitivity of the demagnetization rate to external parameters further suggests the potential for designing highly tunable ultrafast spintronic devices that leverage enhanced fluctuations near the magnetic instability. △ Less

Submitted 2 July, 2026; originally announced July 2026.

Comments: 19 pages, 4 figures

Reaction-Network-Level Discovery of Ammonia Synthesis Catalysts via Ten-Million-Scale Generative Exploration

Authors: Ruili Li, Rui Qi, Shuoqi Zhang, Qingli Tang, Qingqing Mao, Ritankar Das, Beien Zhu, Yi Gao

Abstract: Catalyst discovery for ammonia synthesis is inherently a reaction-network challenge because catalytic performance is governed not by a single adsorbed intermediate, but by a surface's orchestrated compatibility with multiple distinct intermediates across competing dissociative and associative pathways. However, navigating ultra-large chemical spaces under such multi-intermediate constraints remain… ▽ More Catalyst discovery for ammonia synthesis is inherently a reaction-network challenge because catalytic performance is governed not by a single adsorbed intermediate, but by a surface's orchestrated compatibility with multiple distinct intermediates across competing dissociative and associative pathways. However, navigating ultra-large chemical spaces under such multi-intermediate constraints remains a formidable bottleneck for conventional screening workflows. Here, we report a reaction-network-level catalyst discovery framework driven by ten-million-scale generative exploration. By coupling adsorbate-specific generative Transformers with high-throughput machine learning potentials, we systematically map the structure-property landscapes of four critical intermediates (N*, NH*, NNH*, and HNNH*). Scale-dependent overlap analysis shows that the full four-intermediate compatibility space remains strongly under-sampled at conventional 105-106 generative scales, emerging exclusively under ten-million-scale exploration. By generating approximately 15 million configurations per adsorbate, followed by structural compression and machine-learning-potential predictions, we identified 279 highly potential target materials. This sparse compatibility space successfully recovers traditional Fe- and Ru-based motifs while uncovering previously unexplored catalyst families. Representative DFT calculations validate pathway-dependent mechanisms: Fe-V emerges as a dissociative-pathway lead by significantly lowering the initial N2 dissociation barrier, whereas Al-Pd-Zr efficiently stabilizes associative intermediates as an associative-pathway lead. These findings establish multi-intermediate reaction-network compatibility as a robust criterion for discovering advanced catalysts from multi-million generative chemical spaces. △ Less

Submitted 7 July, 2026; v1 submitted 22 June, 2026; originally announced June 2026.

Thermal reconstruction as a method of substrate preparation for highly crystalline superconducting TiN resonators

Authors: Thomas J. Smart, Marc Neis, Janine Lorenz, Marcello P. Guardascione, Roudy Hanna, Michael Schleenvoigt, Yuan Gao, Joscha Domnick, Benjamin Bennemann, Abdur Rehman Jalil, Jin Hee Bae, Harsh Bhardwaj, F. Stefan Tautz, Felix Lüpke, Detlev Grützmacher, Rami Barends, Pavel A. Bushev, Peter Schüffelgen

Abstract: High quality crystalline growth of a thin film on sapphire requires sufficient substrate preparation, often achieved via the use of aggressive chemical cleaning. Direct thermal reconstruction of the sapphire substrate via a CO$_2$ laser beam may allow for an alternative way to prepare the substrate for epitaxy without the use of any chemical processing. Within this work, we demonstrate that therma… ▽ More High quality crystalline growth of a thin film on sapphire requires sufficient substrate preparation, often achieved via the use of aggressive chemical cleaning. Direct thermal reconstruction of the sapphire substrate via a CO$_2$ laser beam may allow for an alternative way to prepare the substrate for epitaxy without the use of any chemical processing. Within this work, we demonstrate that thermal annealing of sapphire into its ($\sqrt{31}$$\times$$\sqrt{31}$)$R$$\pm$9° reconstruction is a valid alternative preparation technique for sapphire substrates. TiN films grown via plasma-assisted molecular beam epitaxy upon these substrates exhibit greater crystallinity than those grown on chemically cleaned sapphire substrates. Superconducting resonators fabricated from these films exhibit similar performance, with many possessing internal quality factors at single photon levels greater than 10$^6$ for both substrate preparation methods. △ Less

Submitted 1 July, 2026; v1 submitted 18 June, 2026; originally announced June 2026.

Comments: 13 pages, 9 figures. Changes in revision primarily concern fixes to author affiliations, the addition of a relevant sources and an expanded discussion of TEM results concerning interface quality. The overall results and conclusions of the paper remain unchanged. Other minor changes include fixes to spelling and grammar

Boltzmann-constrained extraction of spin splitting and momentum relaxation in d-wave altermagnets

Authors: Y. X. Gao, Z. W. Fan, Q. S. Yao, Y. D. Ji, H. Geng

Abstract: Altermagnets exhibit spin-split electronic structure without requiring spin-orbit coupling, but transport measurements generally mix intrinsic spin splitting with extrinsic scattering. We examine this identifiability problem for a two-dimensional d-wave altermagnet within a unified semiclassical framework spanning ballistic to diffusive transport. The spin-dependent Fermi-surface anisotropy produc… ▽ More Altermagnets exhibit spin-split electronic structure without requiring spin-orbit coupling, but transport measurements generally mix intrinsic spin splitting with extrinsic scattering. We examine this identifiability problem for a two-dimensional d-wave altermagnet within a unified semiclassical framework spanning ballistic to diffusive transport. The spin-dependent Fermi-surface anisotropy produces a pronounced size effect, where vastly different longitudinal velocities cause the two spin channels to exhibit markedly different effective relaxation lengths within the same device geometry. However, the altermagnetic coupling $α$ and the momentum relaxation time $τ_0$ strongly compensate each other in longitudinal conductance, creating a severe parameter degeneracy. To lift this degeneracy, we formulate a physics-informed neural network (PINN) to act as a differentiable Boltzmann solver that strictly enforces contact injection, local particle conservation, and global current continuity. Driven by sparse conductance spectra, this neural solver leverages the Fermi-level dependence of transport to unlock the coupled parameters simultaneously, achieving sub-percent accuracy even under moderate measurement noise. These results show that combining the Fermi-level dependence of transport with strict physical constraints provides a robust route to separating spin splitting from scattering in altermagnetic conductors. △ Less

Submitted 18 June, 2026; originally announced June 2026.

Comments: 10 pages, 7 figures

Pronounced in-plane anomalous Hall effect with vanishing out-of-plane response in Cr1.2Te2

Authors: Wenzhi Peng, Zheng Liu, ShaSha Wang, Haolin Pan, Changlong Wang, Xiangbiao Shi, Jiahao Han, Qian Niu, Yang Gao, Bin Xiang, Dazhi Hou

Abstract: We report an unconventional anomalous Hall regime in the van der Waals ferromagnet Cr1.2Te2, in which the anomalous Hall effect (AHE) is present for in-plane magnetization but absent for out-of-plane magnetization. In this purely in-plane regime, the anomalous Hall signal exhibits a threefold angular dependence during both in-plane and out-of-plane rotations of the magnetization, which cannot be a… ▽ More We report an unconventional anomalous Hall regime in the van der Waals ferromagnet Cr1.2Te2, in which the anomalous Hall effect (AHE) is present for in-plane magnetization but absent for out-of-plane magnetization. In this purely in-plane regime, the anomalous Hall signal exhibits a threefold angular dependence during both in-plane and out-of-plane rotations of the magnetization, which cannot be accounted for by the conventional dipolar contribution but instead requires an octupolar contribution. Although the octupolar term qualitatively captures the observed behavior, the experimentally extracted octupole differs quantitatively from first-principles calculations based solely on the intrinsic Berry-curvature mechanism, indicating an essential role for extrinsic scattering processes. △ Less

Submitted 12 June, 2026; originally announced June 2026.

Understanding quantum behaviors of an electron in a uniform magnetic field alternatively

Authors: Jin-Ming Wang, Yuan-Zao Gao, Dai-Lin Cun, Jian Jing

Abstract: Quantum mechanically, an electron moving in a uniform magnetic field forms Landau levels. A curious feature is that for states with a negative angular quantum number, the total probability current vanishes, which appears to contradict the classical picture of cyclotron motion. While a geometric interpretation based on classical orbits exists, alternative interpretations remain of interest. In this… ▽ More Quantum mechanically, an electron moving in a uniform magnetic field forms Landau levels. A curious feature is that for states with a negative angular quantum number, the total probability current vanishes, which appears to contradict the classical picture of cyclotron motion. While a geometric interpretation based on classical orbits exists, alternative interpretations remain of interest. In this paper, we examine the probability current density and identify a critical radius that naturally partitions the plane into an inner clockwise-flow region and an outer counterclockwise-flow region. We show that the vanishing total current results from an exact cancellation between these two regions. Furthermore, by defining a partitioned kinetic angular momentum with respect to the critical radius, we reveal an intrinsic competitive structure: the electron simultaneously carries two opposing rotational components. The negative quantum number manifests in the strength of the inner counter-rotation, while the net kinetic angular momentum remains positive. This bidirectional flow picture also provides a dynamical interpretation of the infinite degeneracy of Landau levels. △ Less

Submitted 29 June, 2026; v1 submitted 11 June, 2026; originally announced June 2026.

Comments: 9 pages, 1 figure

Layer-parity-dependent interfacial coupling in Nb$_3$Cl$_8$/graphene van der Waals heterostructures

Authors: Hansheng Xu, Yuchen Gao, Xinyue Huang, Weihanzhang Guo, Zhijie Ma, Ziqi Liu, Pinfan Gu, Kenji Watanabe, Takashi Taniguchi, Youguo Shi, Yu Ye

Abstract: Strongly correlated two-dimensional systems provide compelling platforms for investigating exotic quantum phenomena. Niobium chloride (Nb$_3$Cl$_8$), a single-band Mott insulator, exhibits a remarkable out-of-plane polarization in its topmost layer that oscillates with layer parity, manifesting as an odd-even effect. Using atomic force microscopy (AFM) and Kelvin probe force microscopy (KPFM), thi… ▽ More Strongly correlated two-dimensional systems provide compelling platforms for investigating exotic quantum phenomena. Niobium chloride (Nb$_3$Cl$_8$), a single-band Mott insulator, exhibits a remarkable out-of-plane polarization in its topmost layer that oscillates with layer parity, manifesting as an odd-even effect. Using atomic force microscopy (AFM) and Kelvin probe force microscopy (KPFM), this layer-parity-dependent polarization can be effectively characterized through surface morphology and potential mapping, enabling the unambiguous identification of different surface phases. We then fabricated dual-gate Hall devices by coupling different surface phases of Nb$_3$Cl$_8$ with monolayer graphene to investigate how the topmost-layer out-of-plane polarization influences interfacial coupling and the resulting transport behavior. Our results reveal significant phase-dependent variations in charge transfer, carrier densities, and hybridization gaps (25.2 meV for Phase 1 and 30.0 meV for Phase 2). Density functional theory calculations corroborate these experimental findings, showing that distinct out-of-plane polarizations in the topmost layer lead to different orbital overlaps and interfacial coupling strengths. These findings highlight the critical importance of surface polarization and orbital orientation in engineering the properties of strongly correlated van der Waals heterostructures. △ Less

Submitted 9 June, 2026; originally announced June 2026.

Comments: 9 pages, 4 figures

Layer-parity-defined surface polarization in Nb$_3$Cl$_8$ for excitonic modulation at van der Waals interfaces

Authors: Xinyue Huang, Hansheng Xu, Yuchen Gao, Yushen Zhou, Zhijie Ma, Kenji Watanabe, Takashi Taniguchi, Zuxin Chen, Jianqi Huang, Jianpeng Liu, Teng Yang, Youguo Shi, Yu Ye

Abstract: The intrinsic symmetry breaking in the breathing kagome lattice of layered Nb$_3$Cl$_8$ provides a unique mechanism for realizing electrically polar surfaces. In each monolayer, the trimerization of Nb atoms breaks inversion and mirror symmetries, generating an out-of-plane electric dipole. The AB-stacked $α$ phase arranges adjacent layer dipoles antiferroelectrically, leaving the uncompensated su… ▽ More The intrinsic symmetry breaking in the breathing kagome lattice of layered Nb$_3$Cl$_8$ provides a unique mechanism for realizing electrically polar surfaces. In each monolayer, the trimerization of Nb atoms breaks inversion and mirror symmetries, generating an out-of-plane electric dipole. The AB-stacked $α$ phase arranges adjacent layer dipoles antiferroelectrically, leaving the uncompensated surface polarization strictly governed by layer parity. Here, using atomic force microscopy operated in Kelvin probe force microscopy mode, we directly visualize layer-dependent polarization states in exfoliated Nb$_3$Cl$_8$ flakes and resolve a pronounced odd-even oscillation of the surface electrostatic potential. Beyond this parity-locked antiferroelectric order, we further identify intralayer polar domains in which local atomic reconstructions of the breathing kagome network reverse the out-of-plane dipole of the surface layer, producing ferroelectric-like stacking configurations. By interfacing monolayer MoSe$_2$ with Nb$_3$Cl$_8$, we demonstrate that these surface-polarization textures effectively modulate adjacent excitonic emission through domain-dependent interfacial band alignment and charge transfer. Our findings establish Nb$_3$Cl$_8$ as an intrinsic layer-polarized van der Waals platform and show that layer parity provides powerful structural degree of freedom for programming excitonic and optoelectronic responses at van der Waals interfaces. △ Less

Submitted 8 June, 2026; originally announced June 2026.

Comments: 9 pages, 4 figures

Odd spin symmetry and anisotropy switching in p-wave magnet CeNiAsO

Authors: Fayuan Zhang, Huaxun Li, Xingkai Cheng, Yibo Fan, Yifan Yin, Yifan Gao, Zhanfeng Liu, Shengtao Cui, Zhouyi Yin, Yue Zhao, Junhao Lin, Zhengtai Liu, Mao Ye, Yaobo Huang, Shan Qiao, Wu Xie, Ping Miao, Hao Wu, Junwei Liu, Guanghan Cao, Chaoyu Chen

Abstract: Odd-parity magnets, complementary to altermagnets, exhibit unique properties such as high efficiency in charge-spin conversion and compatibility with conventional superconductivity, of critical importance in the pursuit of energy-efficient spintronics and topological superconductors for quantum computation. For even-parity d-wave and g-wave altermagnets, the magnetic structure, spin-split band str… ▽ More Odd-parity magnets, complementary to altermagnets, exhibit unique properties such as high efficiency in charge-spin conversion and compatibility with conventional superconductivity, of critical importance in the pursuit of energy-efficient spintronics and topological superconductors for quantum computation. For even-parity d-wave and g-wave altermagnets, the magnetic structure, spin-split band structure and physical properties are currently under intensive study. On the contrary, while hundreds of odd-parity magnets and the promising properties have been predicted in theory, experimental studies are scarce. Specifically, the magnetic structure and transport properties of candidates NiI2 and Ga3Ru4Al12 have been reported, yet the characteristic band structure and particularly the odd-parity spin symmetry remain elusive. Here we demonstrate experimentally the deterministic p-wave spin symmetry and resistance anisotropy switching for the prototype odd-parity magnet, CeNiAsO. Angle-resolved photoemission spectroscopy (ARPES) reveals two cleaved terminations with distinct surface band structure. By compensating the polar surface, we achieve intrinsic bulk band structure, for which the spin splitting can be well described by the p-wave magnetic structure through first-principles calculation. The bulk spin polarization measured by spin-resolved ARPES exhibits symmetry with only one degenerate plane, fingerprint of p-wave magnetism. We further demonstrate giant resistance anisotropy and switching between high-resistance and low-resistance states through modest field-induced domain selection, highlighting its potential for antiferromagnetic spin memory devices. The structural similarity between CeNiAsO and 1111-type Fe-based superconductors stimulates further exploration on the interplay between p-wave magnetism, superconductivity and band topology. △ Less

Submitted 28 May, 2026; v1 submitted 27 May, 2026; originally announced May 2026.

Comments: 4 figures

Ultrafast Magneto-optical Fingerprints of Altermagnetism in MnTe

Authors: Xu Yang, Xingkai Cheng, Zhuo Deng, Yu-Han Gao, Qing-Lin Yang, Zheng Chang, Peng-Tao Yang, Hong-Mei Feng, Xiang-Qun Zhang, Wei He, Junwei Liu, Zhao-Hua Cheng

Abstract: Recently identified altermagnets exhibit a distinctive dual-space nature: they possess spin-split electronic bands akin to ferromagnets in momentum space while maintaining the fully compensated magnetization of antiferromagnets in real space. This inherent duality, originating from the same crystal symmetry, gives rise to various intriguing physical phenomena unique to altermagnets. Consequently,… ▽ More Recently identified altermagnets exhibit a distinctive dual-space nature: they possess spin-split electronic bands akin to ferromagnets in momentum space while maintaining the fully compensated magnetization of antiferromagnets in real space. This inherent duality, originating from the same crystal symmetry, gives rise to various intriguing physical phenomena unique to altermagnets. Consequently, a robust and efficient experimental signature capable of revealing this dual character is critically needed. The magneto-optical Kerr and Voigt effects, given their high sensitivity to ferromagnetism and antiferromagnetism, respectively, are ideally suited to probe this duality. Here, using time-resolved pump-probe magneto-optical measurements, we report the coexistence of pronounced Kerr and Voigt effects in the altermagnet MnTe. Combining the magnetization measurement and first-principles calculations, we demonstrate that the Kerr effect originates from the intrinsic Berry curvature of altermagnetism distribution in momentum space, while the Voigt effect arises from an anisotropic permittivity induced by the in-plane Néel order in real space, directly revealing the dual-space nature of altermagnets. Furthermore, the transient Kerr signal exhibits faster relaxation dynamics than the transient Voigt signal, underscoring their distinct origins in Berry curvature and Néel order, respectively. These findings establish transient magneto-optical responses as distinctive fingerprints of altermagnetism and position altermagnets as promising platforms for manipulating magneto-optical phenomena in ultrafast spin optoelectronics. △ Less

Submitted 22 May, 2026; originally announced May 2026.

Comments: 23 pages, 1 table, 4 figures

Journal ref: Phys. Rev. Lett. 136, 256702 (2026)

ChatMOSP: A Chemistry-Grounded Mobile Agent for Working-State Catalyst Simulations

Authors: Sanyang Ye, Rui Qi, Beien Zhu, Yi Gao

Abstract: Catalytic nanoparticles restructure dynamically under reaction conditions, so their working morphology and activity are governed by temperature, pressure, and gas composition. However, converting experimentally specified environments into physically meaningful morphology-performance simulations remains difficult because the translation of reaction conditions into model-specific energetic, kinetic,… ▽ More Catalytic nanoparticles restructure dynamically under reaction conditions, so their working morphology and activity are governed by temperature, pressure, and gas composition. However, converting experimentally specified environments into physically meaningful morphology-performance simulations remains difficult because the translation of reaction conditions into model-specific energetic, kinetic, and execution parameters requires the specialized knowledge in computational catalysis. Here we report ChatMOSP, a chemistry-grounded mobile scientific agent that translates natural-language and voice-expressed catalytic requests into parameter-validated simulations using the Multi-scale Operando Simulation Package. ChatMOSP maps catalyst identity, temperature, pressure, gas composition, and target observables onto multiscale structure reconstruction and kinetic Monte Carlo tasks, retrieves database parameters or constructs missing inputs from an online literature-retrieval workflow, and executes validated MOSP workflows. Using CO oxidation on Pd nanoparticles as an example, we verify the ChatMOSP simulations capture the temperature-induced transition from faceted to rounded morphologies observed by in-situ TEM experiments either by built-in database or from web-retrieved literature information when the parameters are absent. Moreover, we demonstrate the capability of ChatMOSP to perform end-to-end study at mobile devices to simulate a pressure-coverage-morphology-activity feedback cycle for Pt CO oxidation to interpret the oscillatory CO conversion. These results establish ChatMOSP as a physically constrained mobile agent for accessible and interpretable catalyst working-state simulations. △ Less

Submitted 22 May, 2026; originally announced May 2026.

Comments: 26 pages, 5 figures

Bifurcation of the quasi-stationary velocity of strongly discrete transition waves driven by gravity

Authors: Zehuan Tang, Qing Xia, Hui Chen, Songyang Fu, Yuanwen Gao

Abstract: Transition waves are common in multistable mechanical metamaterials, and the dynamics of weakly discrete transition waves under driving forces have been extensively discussed. However, as lattice effects become more pronounced, strongly discrete transition waves may exhibit dynamics that cannot be predicted by the continuum limit. Here, by tilting a bistable chain, we introduce a gravitational per… ▽ More Transition waves are common in multistable mechanical metamaterials, and the dynamics of weakly discrete transition waves under driving forces have been extensively discussed. However, as lattice effects become more pronounced, strongly discrete transition waves may exhibit dynamics that cannot be predicted by the continuum limit. Here, by tilting a bistable chain, we introduce a gravitational perturbation term into the dynamical equations, under which the transition waves are continuously accelerated. In the strongly discrete regime, we find that transition waves under gravitational driving possess quasi-stationary velocity plateaus (QSVPs), and the number of these plateaus first increases and then decreases as the tilt angle increases. We theoretically elucidate that the emergence of the velocity plateaus originates from the balance between gravitational driving and phonon radiation. In further analysis, the theoretical model reveals that the balance point undergoes a bifurcation at the radiation resonance, which leads to a change in the number of velocity plateaus. Our study extends the investigation of transition waves into the strongly discrete regime, and the emergence of multiple velocity plateaus opens up new possibilities for programmable solitary waves. △ Less

Submitted 18 May, 2026; originally announced May 2026.

Symmetry-protected coexistence of a nodal surface and multiple types of Weyl fermions in $P6_3$-$\text{B}_{30}$

Authors: Xiao-Jing Gao, Yanfeng Ge, Yan Gao

Abstract: The coexistence of topological states with different dimensionalities in a single crystalline system offers a unique platform to study the interplay of distinct fermionic excitations. Here, integrating first-principles calculations with symmetry analysis, we propose the three-dimensional boron allotrope $P6_3$-$\text{B}_{30}$ as an ideal, structurally stable candidate for exploring multidimensiona… ▽ More The coexistence of topological states with different dimensionalities in a single crystalline system offers a unique platform to study the interplay of distinct fermionic excitations. Here, integrating first-principles calculations with symmetry analysis, we propose the three-dimensional boron allotrope $P6_3$-$\text{B}_{30}$ as an ideal, structurally stable candidate for exploring multidimensional topological physics. Benefiting from the practically negligible spin-orbit coupling of the light-element framework, $P6_3$-$\text{B}_{30}$ operates as a pristine spinless topological semimetal. We show that the combined time-reversal and twofold screw symmetry ($\mathcal{T}S_{2z}$) enforces a robust two-dimensional nodal surface on the $k_z = π$ plane via a Kramers-like degeneracy. Concurrently, the system hosts a diverse set of zero-dimensional Weyl fermions -- including an unconventional double-Weyl point ($\mathcal{C} = -2$), conventional Type-I WPs ($\mathcal{C} = -1$), and completely tilted Type-II WPs ($\mathcal{C} = +1$) -- emerging at the high-symmetry points $Γ$ and K, as well as along the H-K path, protected by $C_6$ and $C_3$ crystalline rotational symmetries. Crucially, the substantial momentum-space separation between the nodal surface and Weyl points allows for their unambiguous independent resolution. Calculations of the (100) surface states reveal distinct, nontrivial Fermi arcs connecting Weyl nodes of opposite chirality. This work establishes $P6_3$-$\text{B}_{30}$ as a compelling material platform for investigating the physics of multidimensional hybrid topological fermions and their interplay. △ Less

Submitted 15 April, 2026; originally announced April 2026.

Comments: 4 figures

Symmetry-protected four double-Weyl fermions and their topological phase transitions in nonmagnetic crystals

Authors: Yun-Yun Bai, Ke-Xin Pang, Yan Gao

Abstract: Realizing Weyl semimetals (WSMs) with the minimal number of Weyl points (WPs) fundamentally simplifies extracting intrinsic topological responses. While a minimum of four conventional ($|C|=1$) WPs in nonmagnetic crystals is well-established, the exact symmetry requirements and material realization for the unique configuration of four unconventional double-Weyl points (DWPs, $|C|=2$) remain unreso… ▽ More Realizing Weyl semimetals (WSMs) with the minimal number of Weyl points (WPs) fundamentally simplifies extracting intrinsic topological responses. While a minimum of four conventional ($|C|=1$) WPs in nonmagnetic crystals is well-established, the exact symmetry requirements and material realization for the unique configuration of four unconventional double-Weyl points (DWPs, $|C|=2$) remain unresolved. Here, we establish rigorous crystalline symmetry constraints restricting the existence of exactly four symmetry-protected DWPs to merely 28 space groups in both nonmagnetic spinless and spinful systems. Guided by this classification, we identify an $sp$$^2$--$sp$$^3$ hybridized chiral carbon allotrope, THRLN-C$_{32}$, as an ideal candidate hosting precisely this four-DWP configuration near the Fermi level. These $C_4$-protected DWPs project extended or closed-loop Fermi arcs onto the surface Brillouin zone, providing unambiguous spectroscopic signatures. Furthermore, external strain drives profound topological phase transitions encapsulated in a unified evolution landscape: the pristine four-DWP state dissociates into two exotic three-terminal Weyl complexes, degenerates into eight conventional $|C|=1$ WPs, or collapses into a trivial insulator. This work provides a definitive theoretical framework for minimal double-WSMs in nonmagnetic spinful systems and introduces an optimal material platform for investigating strain-tunable topological quantum phenomena. △ Less

Submitted 8 April, 2026; originally announced April 2026.

Comments: 30 pages, 6 figures

Concerted Electron-Ion Transport by Polyacrylonitrile Elucidated with Reactive Deep Learning Potentials

Authors: Rajni Chahal-Crockett, Michael D. Toomey, Logan T. Kearney, Yawei Gao, Joshua T. Damron, Amit K. Naskar, Santanu Roy

Abstract: Charge transport in polymers, such as polyacrylonitrile (PAN), is crucial for electronics and energy storage. For instance, PAN can transport cations e.g., Li+, by facilitating dynamic cation-nitrile coordination in batteries. However, little is known regarding the underlying role of complex reactive polymer configurations. Herein, we develop a deep-learning potential, trained on ab initio energie… ▽ More Charge transport in polymers, such as polyacrylonitrile (PAN), is crucial for electronics and energy storage. For instance, PAN can transport cations e.g., Li+, by facilitating dynamic cation-nitrile coordination in batteries. However, little is known regarding the underlying role of complex reactive polymer configurations. Herein, we develop a deep-learning potential, trained on ab initio energies and forces of nonequilibrium reactive PAN configurations, to unravel the kinetics of PAN cyclization initiated by a nucleophile (OH- dissociated from LiOH) attacking the terminal nitrile carbon. We find, based on the reaction free-energetics, rates, and charge analysis, that the nucleophile attack producing the first ring is the rate-limiting step, which subsequently triggers Li+-coupled electron transfer along the PAN backbone, causing ~10,000 times faster sequential ring-formation of the remaining nitriles. PAN's extended configurations, where dipolar and H-bonding interactions are minimal, enable such rapid kinetics. By validating our computational findings with IR and NMR experiments, we establish a pathway for designing reactive polymers with enhanced charge transport for energy applications. △ Less

Submitted 25 March, 2026; originally announced March 2026.

Comments: 8 pages, 4 figures

Intertwined spin and charge dynamics in one-dimensional supersymmetric t-J model

Authors: Yunjing Gao, Jianda Wu

Abstract: Following the Bethe ansatz we determine the dynamical spectra of the one-dimensional supersymmetric t-J model. A series of fractionalized excitations are identified through two sets of Bethe numbers. Typical patterns in each set are found to yield wavefunctions containing elementary spin and charge carriers, manifested as distinct boundaries of the collective excitations in the spectra of single e… ▽ More Following the Bethe ansatz we determine the dynamical spectra of the one-dimensional supersymmetric t-J model. A series of fractionalized excitations are identified through two sets of Bethe numbers. Typical patterns in each set are found to yield wavefunctions containing elementary spin and charge carriers, manifested as distinct boundaries of the collective excitations in the spectra of single electron Green functions. In spin channels, gapless excitations fractionalized into two spin and a pair of postive and negative charge carriers, extending to finite energy as multiple continua. These patterns connect to the half-filling limit where only fractionalized spinons survive. In particle density channel, apart from spin-charge fractionalization, excitations involving only charge fluctuations are observed. Furthermore, nontrivial Bethe strings encoding bound state structure appear in channels of reducing or conserving magnetization, where spin and charge constituents can also be identified. These string states contribute significantly even to the low-energy sector in the limit of vanishing magnetization. △ Less

Submitted 25 March, 2026; v1 submitted 25 March, 2026; originally announced March 2026.

Comments: 7 pages, 5 figures

RKKY-dipolar Interactions and 3D Spin Supersolid on Stacked Triangular Lattice

Authors: Ning Xi, Xitong Xu, Guoliang Wu, Mingfang Shu, Hao Chen, Yuan Gao, Zhentao Wang, Gang Su, Jie Ma, Zhe Qu, Xi Chen, Wei Li

Abstract: Inspired by the recent discovery of metallic spin supersolidity and its giant magnetocaloric effect in the rare-earth alloy EuCo$_2$Al$_9$ [Nature 651, 61 (2026)], we perform a combined study through electronic structure analysis, effective spin model, and Monte Carlo simulations on a stacked triangular lattice, and reveal a novel mechanism for the emergence of 3D spin supersolid in a metallic ant… ▽ More Inspired by the recent discovery of metallic spin supersolidity and its giant magnetocaloric effect in the rare-earth alloy EuCo$_2$Al$_9$ [Nature 651, 61 (2026)], we perform a combined study through electronic structure analysis, effective spin model, and Monte Carlo simulations on a stacked triangular lattice, and reveal a novel mechanism for the emergence of 3D spin supersolid in a metallic antiferromagnet. From first-principles inputs, we derive a minimal spin model on a stacked triangular lattice (STL), which arises from the interplay between Ruderman-Kittel-Kasuya-Yosida (RKKY) and dipolar interactions and accurately reproduces the experimental thermodynamics. Based on the STL model, we identify a ground state that simultaneously breaks discrete lattice translational symmetry and continuous spin-rotational symmetry -- the hallmark of a spin supersolid. Furthermore, we present the field-temperature phase diagram of the 3D STL model and discuss the various magnetic phases and associated phase transitions. Under zero field, the spin supersolid Y order establishes in two steps: an upper transition at $T_{N1}$, where an emergent U(1) symmetry appears and the system enters a fluctuating collinear regime, followed by a lower transition at $T_{N2}$ into the spin supersolid Y phase. In contrast, the supersolid V phase undergoes a single phase transition at $T_N^V$. Our results not only provide a comprehensive theoretical understanding of the metallic spin supersolid reported for EuCo$_2$Al$_9$ but also pave the way for further experimental investigations into its supersolid transitions and universality class. △ Less

Submitted 25 March, 2026; originally announced March 2026.

Comments: 9 pages, 5 figures

Magnon-Driven Anomalous Hall Effect in Altermagnets

Authors: Zheng Liu, Yang Gao, Qian Niu

Abstract: We propose a magnon-driven anomalous Hall effect in altermagnets, arising from the coupling between coherently excited chiral magnons and chiral electronic motion. Using density-matrix perturbation theory and symmetry analysis, we show that the resulting Hall conductivity is solely determined by the chiralithy of the Néel-order precession, in sharp contrast to the anomalous Hall effect from the eq… ▽ More We propose a magnon-driven anomalous Hall effect in altermagnets, arising from the coupling between coherently excited chiral magnons and chiral electronic motion. Using density-matrix perturbation theory and symmetry analysis, we show that the resulting Hall conductivity is solely determined by the chiralithy of the Néel-order precession, in sharp contrast to the anomalous Hall effect from the equilibrium Néel order. It then has distinct symmetry requirements from the latter and can exist even when the latter is forbidden by symmetry. The magnon-driven anomalous Hall effect is exemplified in a minimal lattice model with the same symmetry of the altermagnet CrSb, which hosts no static anomalous Hall effect. Our results reveal a direct interplay between chiral magnons and chiral electronic motion, paving the way of probing magnon chirality and to control electronic chirality through magnons. △ Less

Submitted 20 March, 2026; originally announced March 2026.

Single-pair charge-2 Weyl-Dirac composite semimetals

Authors: Hui-Jing Zheng, Ke-Xin Pang, Yun-Yun Bai, Yanfeng Ge, Yan Gao

Abstract: The Nielsen--Ninomiya theorem requires that the total topological chiral charges in a crystal vanish, a constraint typically satisfied by identical nodes like Weyl--Weyl pairs. Whether a minimal heterogeneous configuration -- comprising a single Weyl point (WP) and a single Dirac point (DP) -- can exist in an electronic system has remained unresolved. Here, by systematically classifying all 1651 m… ▽ More The Nielsen--Ninomiya theorem requires that the total topological chiral charges in a crystal vanish, a constraint typically satisfied by identical nodes like Weyl--Weyl pairs. Whether a minimal heterogeneous configuration -- comprising a single Weyl point (WP) and a single Dirac point (DP) -- can exist in an electronic system has remained unresolved. Here, by systematically classifying all 1651 magnetic space groups (MSGs), we reveal that only 14 MSGs without spin-orbit coupling (SOC) and 10 MSGs with SOC are compatible with this exotic state. Furthermore, for nonmagnetic crystals, this configuration is uniquely realized in the spinless limit of chiral space groups 92 and 96. Guided by this principle, we predict an ideal realization in chiral three-dimensional boron allotropes (SDHBN-B$_{28}$ enantiomers). First-principles calculations unveil a $|C|=2$ WP at the $Γ$ point and a $|C|=2$ DP at the $A$ point, which constitute the only fermions near the Fermi level within a large $2$ eV energy window. Strikingly, the structural chirality rigidly dictates the sign of the topological charges, yielding two ultralong Fermi arcs spanning the surface Brillouin zone. Our work provides a complete crystallographic classification and a definitive material platform for exploring minimal heterogeneous chiral fermions. △ Less

Submitted 18 March, 2026; originally announced March 2026.

Comments: 25 pages, 4 figures

UniMatSim: A High-Throughput Materials Simulation Automation Framework Based on Universal Machine Learning Potentials

Authors: Yanjin Xiang, Yihan Nie, Yunzhi Gao, Haidi Wang, Wei Hu

Abstract: Universal machine learning interatomic potentials (UMLIPs) offer accuracy close to first-principles calculations at a fraction of the cost, showing significant potential for large-scale material simulations. However, the fragmented UMLIPs ecosystem lacks unified interface standards and integration frameworks, hindering their automated deployment in high-throughput workflows. To address this, we pr… ▽ More Universal machine learning interatomic potentials (UMLIPs) offer accuracy close to first-principles calculations at a fraction of the cost, showing significant potential for large-scale material simulations. However, the fragmented UMLIPs ecosystem lacks unified interface standards and integration frameworks, hindering their automated deployment in high-throughput workflows. To address this, we present UniMatSim, a modular Python framework. It systematically integrates various UMLIPs (e.g., CHGNet, M3GNet, MACE) and automates workflows from structural optimization to stability verification. The framework enables seamless model switching via abstracted interfaces, incorporates task orchestration, and provides standardized modules for key properties (elasticity, phonons, molecular dynamics), including automated handling for low-dimensional materials. As a test case, using the 2D Lieb lattice system, we constructed a multi-stage high-throughput screening workflow covering structural optimization, elastic stability, and phonon spectrum calculations. Starting from 1,176 candidate compositions, a four-model consensus pipeline yields 393 stable structures. These are refined by magnetic-state screening and DFT band-structure calculations to 59 Lieb-lattice candidates with staggered-magnetic-band characteristics. Results show UniMatSim significantly improves computational efficiency and reproducibility, providing a reliable infrastructure for data-driven materials discovery and design. △ Less

Submitted 11 March, 2026; originally announced March 2026.

Comments: 14 pages main text, 17 pages Supporting Information, 4 figures

The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project

Authors: Qiming Sun, Matthew R Hermes, Xiaojie Wu, Huanchen Zhai, Xing Zhang, Abdelrahman M. Ahmed, Juan José Aucar, Oliver J. Backhouse, Samragni Banerjee, Peng Bao, Nikolay A. Bogdanov, Kyle Bystrom, Frédéric Chapoton, Ning-Yuan Chen, Ivan Yu. Chernyshov, Helen S. Clifford, Sander Cohen-Janes, Zhi-Hao Cui, Yann D. Damour, Nike Dattani, Linus Bjarne Dittmer, Sebastian Ehlert, Janus Juul Eriksen, Francesco A. Evangelista, Simon A. Ewing , et al. (78 additional authors not shown)

Abstract: Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum chemical method development. This article reviews the major advances since the previous overview in 2020, covering new modules and methodology, infrastructure changes, and performance benchmarks. Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum chemical method development. This article reviews the major advances since the previous overview in 2020, covering new modules and methodology, infrastructure changes, and performance benchmarks. △ Less

Submitted 7 April, 2026; v1 submitted 14 March, 2026; originally announced March 2026.

Low-loss phase-change material based programmable mode converter for photonic computing

Authors: Xueyang Shen, Ruixuan Chu, Ding Xu, Yuan Gao, Wen Zhou, Wei Zhang

Abstract: Phase-change materials (PCMs)-based integrated photonic memory offers a viable pathway for the development of neuromorphic computing chip. The sizable optical contrast in the telecom band between amorphous and crystalline phases of PCM, in particular, Ge2Sb2Te5 (GST), is used for multilevel programming. However, the high extinction coefficient k of crystalline GST leads to high optical loss, posin… ▽ More Phase-change materials (PCMs)-based integrated photonic memory offers a viable pathway for the development of neuromorphic computing chip. The sizable optical contrast in the telecom band between amorphous and crystalline phases of PCM, in particular, Ge2Sb2Te5 (GST), is used for multilevel programming. However, the high extinction coefficient k of crystalline GST leads to high optical loss, posing a serious challenge for scaling up the device array for practical use. In this work, we focus on the atomic understanding and application of the so-called low-loss PCM, Sb2Se3, through multiscale simulations. First, we elucidate the bonding origin of the wavelength dependent optical properties of amorphous and crystalline Sb2Se3 via ab initio calculations. Given the suppressed k in the telecom band, we design a programable mode converter (PMC) waveguide device that utilizes only the contrast in refractive index n between amorphous and crystalline Sb2Se3 to encode multiple optical levels per waveguide device. The finite-difference time-domain simulations show that a single PMC device can achieve 5-bit programming precision (32 levels) via direct laser writing, and the photonic tensor core formed by the PMC array could possibly be scaled to 128*128. Finally, a thorough comparison between low-loss PCM and conventional PCM is provided. △ Less

Submitted 11 March, 2026; originally announced March 2026.

Comments: 24 pages, 7 figure, 2 tables

On the origin of diverse interlayer charge redistribution in transition-metal dichalcogenides

Authors: Yu-Meng Gao, Nie-Wei Wang, Shi-Xuan Yuan, Wen-Xin Xia, Jiang-Long Wang, Xing-Qiang Shi

Abstract: The interlayer quasi-chemical-bonding (QCB) interactions of two-dimensional (2D) layered materials promote the research field of interlayer-engineering and cause interlayer charge density redistributions (ICDRs). The ICDRs have been reported experimentally and theoretically, which show different redistributions, e.g., accumulation, depletion, or a more complicated behavior. The underlying mechanis… ▽ More The interlayer quasi-chemical-bonding (QCB) interactions of two-dimensional (2D) layered materials promote the research field of interlayer-engineering and cause interlayer charge density redistributions (ICDRs). The ICDRs have been reported experimentally and theoretically, which show different redistributions, e.g., accumulation, depletion, or a more complicated behavior. The underlying mechanism for the different ICDRs remain to be elucidated. In the current work, via a systematic theoretical study of the ICDRs of transition metal dichalcogenides with different number of d-electrons filling (d^0 TiS2, d^1 NbS2, and d^2 MoS2) in T and H phases, we reveal three mechanisms based on the coexistence of different types of interlayer QCB interactions. Mechanism (1) is from a competition between two types of interlayer interactions: namely, the interlayer interaction between fully occupied energy levels (in short: o-o interaction) depletes electrons in the overlap region while that between occupied and empty levels (o-e interaction) promotes electron accumulation; and the competition between them leads to that the d^0 TiS2 tends to electron accumulation in T phase than in H phase. Mechanism (2), the interlayer interaction between half-filled levels (h-h interaction) promotes the electron accumulation of d^1 NbS2. Mechanism (3), the interlayer interaction of multiple filled-levels of d^2 MoS2 (namely, the multi-level o-o interaction) leads to a more complicated ICDR. The current study provides a unified understanding to the different ICDRs of van der Waals materials and paves the way for further exploration of their electronic properties and applications. △ Less

Submitted 10 March, 2026; originally announced March 2026.

Enhancement of metallicity by Na doping in La$_3$Ni$_2$O$_{7+δ}$

Authors: Yingying Gao, Wei Zhou, W. H. Guo, Chunqiang Xu, H. F. Chen, Z. D. Han, Xiaofeng Xu, Yinzhong Wu, Bin Qian

Abstract: The observation of high-$T_c$ superconductivity in bilayer nickelate La$_3$Ni$_2$O$_7$ under high pressure provides a new venue for exploring novel unconventional superconductors and elucidating the mechanism of high-$T_c$ superconductivity. Subsequently, numerous chemical substitution studies have been reported, aiming to stabilize superconductivity at ambient pressure, or significantly reduce th… ▽ More The observation of high-$T_c$ superconductivity in bilayer nickelate La$_3$Ni$_2$O$_7$ under high pressure provides a new venue for exploring novel unconventional superconductors and elucidating the mechanism of high-$T_c$ superconductivity. Subsequently, numerous chemical substitution studies have been reported, aiming to stabilize superconductivity at ambient pressure, or significantly reduce the pressure threshold required for its occurrence. Here, we report the comprehensive study on sodium (Na) doping in the Ruddlesden-Popper nickelate La$_3$Ni$_2$O$_{7+δ}$, where Na$^+$ substitutes for La$^{3+}$ at the A-site with varying doping concentrations. The structural, thermal, magnetic, and electronic transport properties of as-synthesized polycrystalline samples were systematically investigated. X-ray diffraction (XRD) analysis reveals that Na doping induces a structural transition from the '327' Amam phase to the '4310' Bmab phase when $x\geq0.075$, which is further corroborated by thermogravimetric analysis (TGA) measurements. Substitution of La$^{3+}$ with Na$^+$ gives rise to a gradual expansion of the '327' phase lattice. Meanwhile, resistivity measurements indicate that the density wave (DW) transition is marginally suppressed and metallicity is significantly enhanced. Upon the application of pressure, DW transition can be further suppressed, whereas the low-$T$ insulating behaviors remain insensitive to pressure. These results offer critical insights into the roles of elemental substitution and charge carrier doping in steering the competing electronic phases in layered nickelates. △ Less

Submitted 9 March, 2026; originally announced March 2026.

On-surface synthesis and aromaticity of large cyclocarbons

Authors: Lisanne Sellies, Marco Vitek, Yueze Gao, Fabian Paschke, Florian Albrecht, Jakob Eckrich, Beren Dempsey, Stefano Barison, Leonard-Alexander Lieske, Samuele Piccinelli, Alberto Baiardi, Ivano Tavernelli, Harry L. Anderson, Igor Rončević, Leo Gross

Abstract: Molecular rings of N carbon atoms, that is, cyclo[N]carbons, or C$_N$, can be formed by tip-induced chemistry [1-7]. Because of their monocyclic geometry, cyclocarbons are fundamentally important for testing theoretical models of aromaticity [8-11]. Here, we synthesized large cyclo[N]carbons, with N up to 88, by tip-induced chemistry on a NaCl surface and studied their aromaticity by measuring the… ▽ More Molecular rings of N carbon atoms, that is, cyclo[N]carbons, or C$_N$, can be formed by tip-induced chemistry [1-7]. Because of their monocyclic geometry, cyclocarbons are fundamentally important for testing theoretical models of aromaticity [8-11]. Here, we synthesized large cyclo[N]carbons, with N up to 88, by tip-induced chemistry on a NaCl surface and studied their aromaticity by measuring their transport gaps by scanning tunnelling spectroscopy. We first generated C$_{20}$ and C$_{22}$, and then fused multiple cyclocarbons [5-7] by means of atom manipulation, obtaining C$_{42}$, C$_{44}$, C$_{46}$, C$_{66}$ and C$_{88}$. In agreement with predictions obtained using a finely tuned density functional [12-15] and large active space approximate configuration interaction calculations executed on quantum hardware [16, 17], we observe a substantially smaller transport gap for C$_{20}$ (N = 4n) compared to C$_{22}$ (4n+2), and for C$_{44}$ (4n) relative to C$_{42}$ (4n+2). In larger cyclocarbons, the oscillation of the transport gap between anti-aromatic N = 4n and aromatic N = 4n+2 cyclocarbons becomes smaller, and is expected to eventually vanish with increasing N, indicating non-aromaticity. Our experimental results show that aromaticity persists at N = 42, and theory predicts ring currents comparable in magnitude to that of benzene in cyclocarbons of this size. In the future, such large cyclocarbons could be used to study conductance, quantum interference, and the effects of aromaticity in single atomic carbon wires and circuits. △ Less

Submitted 20 April, 2026; v1 submitted 2 March, 2026; originally announced March 2026.

Comments: 62 pages, including Supplementary Information

Single Pair of Charge-two Weyl Fermions in Chiral Boron Allotropes

Authors: Hui-Jing Zheng, Yan Gao, Yanfeng Ge, Yong Liu, Zhong-Yi Lu

Abstract: The realization of a minimal Weyl semimetal (WSM) hosting a single pair of Weyl points (WPs) has thus far been restricted to magnetic systems, since time-reversal symmetry generally enforces a minimum of four WPs in nonmagnetic materials. Here, combining first-principles calculations with symmetry analysis, we identify two stable boron allotropes, chiral HDSBC-B$_{20}$ and cage-like CR-B$_{12}$, a… ▽ More The realization of a minimal Weyl semimetal (WSM) hosting a single pair of Weyl points (WPs) has thus far been restricted to magnetic systems, since time-reversal symmetry generally enforces a minimum of four WPs in nonmagnetic materials. Here, combining first-principles calculations with symmetry analysis, we identify two stable boron allotropes, chiral HDSBC-B$_{20}$ and cage-like CR-B$_{12}$, as the first nonmagnetic electronic materials realizing a single pair of WPs in the spinless regime. We show that the interplay between time-reversal symmetry and crystallographic rotation symmetry ($C_4$ or $C_3$) stabilizes exactly one pair of $C=2$ WPs pinned at time-reversal-invariant momenta, thereby circumventing the conventional node-quartet constraint. These double-WPs exhibit linear dispersion along the rotation axis and quadratic dispersion in the perpendicular plane. In HDSBC-B$_{20}$, the sign of the topological charge is directly correlated with structural chirality. Both materials host exceptionally long double Fermi arcs spanning the surface Brillouin zone, providing experimentally accessible signatures. Our findings establish nonmagnetic material platforms for minimal double-Weyl fermions and broaden the landscape of unconventional WSMs. △ Less

Submitted 25 February, 2026; originally announced February 2026.

Comments: 4 figures

Symmetry-Protected Minimum of Four Conventional Weyl Points in Nonmagnetic Crystals

Authors: Ze-Xin Xue, Ke-Xin Pang, Yun-Yun Bai, Yanfeng Ge, Yong Liu, Yan Gao

Abstract: Realizing nonmagnetic Weyl semimetals (WSMs) with the minimal number of conventional Weyl points (WPs) and a clean Fermi surface remains a central challenge. Here, combining symmetry analysis with first-principles calculations, we establish the definitive conditions under which a nonmagnetic crystal can host exactly four conventional ($C = \pm 1$) WPs, identifying 76 space groups in the spinless l… ▽ More Realizing nonmagnetic Weyl semimetals (WSMs) with the minimal number of conventional Weyl points (WPs) and a clean Fermi surface remains a central challenge. Here, combining symmetry analysis with first-principles calculations, we establish the definitive conditions under which a nonmagnetic crystal can host exactly four conventional ($C = \pm 1$) WPs, identifying 76 space groups in the spinless limit and 83 in the spinful case that allow this minimal configuration. Guided by this framework, we predict two previously unknown boron allotropes, P6-B$_{48}$ and TBIN-B$_{48}$, as ideal WSMs. Both exhibits precisely four isolated WPs near the Fermi level, with exceptionally clean electronic structures. Notably, the WPs in P6-B$_{48}$ are pinned to high-symmetry points, while those in TBIN-B$_{48}$ lie along high-symmetry lines, leading to distinct and experimentally accessible surface states, including single and double Fermi arcs. Our work provides a complete symmetry-based foundation and pristine material platforms for minimal Weyl physics. △ Less

Submitted 25 February, 2026; originally announced February 2026.

Comments: 6 figures

Teleportation transition of surface codes on a superconducting quantum processor

Authors: Yiren Zou, Hong-Kuan Xia, Aosai Zhang, Xuhao Zhu, Feitong Jin, Qingyuan Wang, Yu Gao, Chuanyu Zhang, Ning Wang, Zhengyi Cui, Fanhao Shen, Zehang Bao, Zitian Zhu, Jiarun Zhong, Gongyu Liu, Jia-Nan Yang, Yihang Han, Yiyang He, Jiayuan Shen, Han Wang, Yanzhe Wang, Jiahua Huang, Xinrong Zhang, Sailang Zhou, Hang Dong , et al. (10 additional authors not shown)

Abstract: The topological surface code is a leading candidate for harnessing long-range entanglement to protect logical quantum information against errors, and teleportation of logical states is desirable for robust quantum information processing. Nevertheless, scaling up the surface code in quantum teleportation poses a formidable challenge to experiment. Here on a superconducting quantum processor with 12… ▽ More The topological surface code is a leading candidate for harnessing long-range entanglement to protect logical quantum information against errors, and teleportation of logical states is desirable for robust quantum information processing. Nevertheless, scaling up the surface code in quantum teleportation poses a formidable challenge to experiment. Here on a superconducting quantum processor with 125 qubits, we demonstrate the robust teleportation of topological rotated surface code prepared by a linear-depth unitary circuit, with code distances up to 7. We obtain the teleportation phase diagram by tuning the local entangling gates uniformly across a finite threshold. Furthermore, we show that the entangling threshold can be boosted by coherent qubit rotations that inject magic resources beyond the Clifford regime, restoring the duality symmetry of the topological phase, which serves as a guiding principle to minimize the entanglement resource. Our results shed light on simulating and leveraging topological quantum matter on quantum devices, and pave the way to the ultimate goal of distributed fault tolerant quantum computation. △ Less

Submitted 24 February, 2026; originally announced February 2026.

Photogalvanic effect in few layer graphene

Authors: Zhaohang Li, Kainan Chang, Haoyu Li, Yuxuan Gao, Wei Xin, Jinluo Cheng, Haiyang Xu

Abstract: We systematically investigate the nonlinear photogalvanic effect in few-layer graphene with various stacking orders, including AA- and AB-stacked bilayers, and AAA-, ABA-, and ABC-stacked trilayers. Using a tight-binding model to describe the electronic states, the shift current conductivity and jerk current conductivity are calculated over a broad spectral range from terahertz to visible frequenc… ▽ More We systematically investigate the nonlinear photogalvanic effect in few-layer graphene with various stacking orders, including AA- and AB-stacked bilayers, and AAA-, ABA-, and ABC-stacked trilayers. Using a tight-binding model to describe the electronic states, the shift current conductivity and jerk current conductivity are calculated over a broad spectral range from terahertz to visible frequencies. Our symmetry analysis reveals that a nonvanishing shift current emerges only in ABA-stacked trilayer graphene due to its broken inversion symmetry, with a peak conductivity reaching approximately $1.21 \times 10^{-13}$ A$\cdot$m/V$^2$ at optimal doping. In contrast, the jerk current, permitted in all structures, requires an in-plane static electric field and exhibits pronounced spectral tunability with chemical potential. These findings establish a comprehensive symmetry-band-field coupling paradigm for nonlinear photocurrents in layered graphene and provide design principles for tunable, polarization-sensitive photodetection and energy-harvesting devices based on van der Waals heterostructures. △ Less

Submitted 9 April, 2026; v1 submitted 23 February, 2026; originally announced February 2026.

Electronic dynamics in long linear and cyclic polyynes towards the carbyne limit

Authors: Soumyadip Bhunia, Yueze Gao, Jack Woolley, Ross Milverton, Harry L Anderson, Raj Pandya

Abstract: Carbyne-the one-dimensional sp-hybridised allotrope of carbon-has long been predicted to exhibit unique properties, yet its synthesis remains elusive. To probe its behaviour, finite sp-carbon chains such as cumulenes and polyynes have been studied, but work to date has focused almost exclusively on short, linear systems far from the infinite carbyne limit and without considering topology. Here, we… ▽ More Carbyne-the one-dimensional sp-hybridised allotrope of carbon-has long been predicted to exhibit unique properties, yet its synthesis remains elusive. To probe its behaviour, finite sp-carbon chains such as cumulenes and polyynes have been studied, but work to date has focused almost exclusively on short, linear systems far from the infinite carbyne limit and without considering topology. Here, we investigate long (48-carbon) linear and cyclic polyynes using steady-state and ultrafast, temperature- and polarization-resolved optical and vibrational spectroscopy. We find highly delocalized ground states in both topologies, with Peierls distortions markedly weaker than in short chains. In contrast, excited states undergo rapid self-localisation, with the localisation pathway and subsequent intersystem crossing strongly dependent on chain length and topology. Unlike shorter polyynes, excited-state structural rearrangements are minimal, and comparison with theoretical predictions shows that properties, such as Huang-Rhys factors, have plateaued by 48 carbons. Our results reveal how topology influences the electronic dynamics of long polyynes and refines our understanding of sp-carbon systems approaching the carbyne limit △ Less

Submitted 23 February, 2026; originally announced February 2026.

Comments: 14 pages, 6 Figures

Electron-phonon coupling in EuAl4 under hydrostatic pressure

Authors: A. S. Sukhanov, S. Gebel, A. N. Korshunov, N. D. Andriushin, M. S. Pavlovskii, Y. Gao, K. M. Moya, K. Allen, E. Morosan, M. C. Rahn

Abstract: In the intermetallid rare-earth tetragonal EuAl4 system, competing itinerant exchange mechanisms lead to a complex magnetic phase diagram, featuring a centrosymmetric skyrmion lattice. Previous inelastic x-ray scattering (IXS) experiments revealed that the incommensurate charge-density wave (CDW) transition in EuAl4 (TCDW = 142 K) is driven by momentum-dependent electron-phonon coupling (EPC). We… ▽ More In the intermetallid rare-earth tetragonal EuAl4 system, competing itinerant exchange mechanisms lead to a complex magnetic phase diagram, featuring a centrosymmetric skyrmion lattice. Previous inelastic x-ray scattering (IXS) experiments revealed that the incommensurate charge-density wave (CDW) transition in EuAl4 (TCDW = 142 K) is driven by momentum-dependent electron-phonon coupling (EPC). We present the results of IXS under high hydrostatic pressure induced by diaond anvils and show how the EPC in EuAl4 is renormalized and suppressed in the material's temperature-pressure phase diagram. Our findings highlight the crucial role of momentum-dependent EPC in the formation of the CDW in EuAl4 and provide further insights into how external pressure can be used to tune charge ordering in quantum materials. △ Less

Submitted 16 February, 2026; originally announced February 2026.

Journal ref: Physical Review B 111, 195150 (2025)

Uniaxial strain tuned magnetism of the altermagnet candidate h-FeS

Authors: Weiliang Yao, Feng Ye, Zachary J. Morgan, Douglas L. Abernathy, Ruixian Liu, Sijie Xu, Yuxiang Gao, Kevin Allen, Yuan Fang, Emilia Morosan, Qimiao Si, Pengcheng Dai

Abstract: Altermagnets are collinear magnetic materials with 'alter'nating local crystalline environments, characterized by joint spin and crystalline symmetries that enable ferromagnetic-like transport properties but with vanishing net magnetization. Hexagonal FeS (h-FeS) is a recently identified altermagnet candidate that shows a spontaneous anomalous Hall effect (AHE) accompanied by a tiny net magnetizat… ▽ More Altermagnets are collinear magnetic materials with 'alter'nating local crystalline environments, characterized by joint spin and crystalline symmetries that enable ferromagnetic-like transport properties but with vanishing net magnetization. Hexagonal FeS (h-FeS) is a recently identified altermagnet candidate that shows a spontaneous anomalous Hall effect (AHE) accompanied by a tiny net magnetization. Here, we show that both the spontaneous AHE and magnetization can be effectively suppressed by an in-plane compressive strain. Since neutron diffraction measurements show that the applied uniaxial strain only modifies the in-plane domain population but does not affect the in-plane magnetic structure, the major effect of the applied strain is to tune the small $c$-axis ferromagnetic moment. Our results demonstrate a strong correlation between the tiny net magnetization and the spontaneous AHE in h-FeS, and show that uniaxial strain provides an effective knob to tune both properties in this altermagnet candidate for spintronic applications. △ Less

Submitted 16 February, 2026; originally announced February 2026.

Journal ref: Advanced Materials (2026)

Atomically-sharp magnetic soliton in the square-net lattice EuRhAl$_{4}$Si$_{2}$

Authors: Kevin Allen, Juba Bouaziz, Yichen Zhang, Kai Du, Sanu Mishra, Gustav Bihlmayer, Yiqing Hao, Victor Ukleev, Chen Luo, Florin Radu, Yuxiang Gao, Marta Zonno, Sergey Gorovikov, Christopher Lane, Jian-Xin Zhu, Huibo Cao, Sang-Wook Cheong, Ming Yi, Stefan Blügel, Emilia Morosan

Abstract: Topological spin textures are hallmark manifestations of competing interactions in magnetic matter. Their effective description by nonlinear field theories reflects an energetic frustration that destabilizes uniform order while selecting finite-size, topologically nontrivial configurations as stationary states. Among the most extreme realizations are atomically-sharp domain wall excitations, namel… ▽ More Topological spin textures are hallmark manifestations of competing interactions in magnetic matter. Their effective description by nonlinear field theories reflects an energetic frustration that destabilizes uniform order while selecting finite-size, topologically nontrivial configurations as stationary states. Among the most extreme realizations are atomically-sharp domain wall excitations, namely one-dimensional (1D) magnetic solitons, which represent the ultimate scaling limit of magnetic textures. Such solitons may emerge in magnetic systems where effective exchange interactions compete directly with uniaxial magnetic anisotropy. Here we show that the square-net rare earth compound EuRhAl$_{4}$Si$_{2}$ realizes a very susceptible regime where the magnetic anisotropy competes with highly frustrated exchange interactions stabilizing a rare ferrimagnetic $\uparrow\uparrow\downarrow$ state that, under applied magnetic field, supports the formation of atomically-sharp soliton defects. We confirm the bulk response of the 1D magnetic solitons via magnetization and electrical transport measurements. We establish both the zero- and in-field $\uparrow\uparrow\downarrow$ order via neutron diffraction, while magnetic force microscopy visualizes its real-space evolution into a stripe-like array. To elucidate the microscopic origin of the soliton, we relate the Ruderman-Kittel-Kasuya-Yosida (RKKY)-driven exchange interactions and the magnetic anisotropy through density functional theory, and we construct an effective 1D $J_{1}$-$J_{2}$-$K$ model whose atomistic spin dynamics simulations reproduce the observed soliton states as a function of external field. Our results demonstrate that EuRhAl$_{4}$Si$_{2}$ hosts atomically-sharp, field-driven 1D magnetic solitons, providing a new platform for studying 1D topological excitations at the atomic length scale. △ Less

Submitted 10 February, 2026; originally announced February 2026.

Realistic tight-binding model for V2Se2O-family altermagnets

Authors: Xingkai Cheng, Yifan Gao, Junjie Pengand Junwei Liu

Abstract: Following earlier theoretical prediction, intercalated V2Se2O-family altermagnets such as RbV2Te2O and KV2Se2O have now been experimentally confirmed as d-wave altermagnets, representing the only known van der Waals layered altermagnetic systems. By combining crystal-symmetry-paired spin-momentum locking (CSML) with the layered structure, the V2Se2O-family offers a suitable platform for studying l… ▽ More Following earlier theoretical prediction, intercalated V2Se2O-family altermagnets such as RbV2Te2O and KV2Se2O have now been experimentally confirmed as d-wave altermagnets, representing the only known van der Waals layered altermagnetic systems. By combining crystal-symmetry-paired spin-momentum locking (CSML) with the layered structure, the V2Se2O-family offers a suitable platform for studying low-dimensional spintronic responses and exploring the interplay among multiple quantum degrees of freedom. To establish a concrete theoretical foundation for understanding and utilizing these materials, we investigate six representative members of the V2Se2O-family and construct a realistic tight-binding model parameterized by first-principles calculations, which is benchmarked by experimental measurements. This model accurately captures essential altermagnetic electronic properties, including CSML and noncollinear spin-conserved currents. It further incorporates strain-coupling parameters, enabling the simulation of strain-tunable responses such as the piezo-Hall effects. This realistic model allows systematic exploration of multiple degrees of freedom (like spin, valley, and layer) within a single system, and lays the groundwork for understanding their coupling with other quantum materials, such as topological insulators and superconductors, thereby advancing both the fundamental understanding and potential device applications of this novel class of layered altermagnets. △ Less

Submitted 10 February, 2026; originally announced February 2026.

Unbounded Systematic Error in Thin Film Conductivity Measurements

Authors: Yongyi Gao, Hio-Ieng Un, Yuxuan Huang, Henning Sirringhaus, Ian E. Jacobs

Abstract: Electrical conductivity is the most fundamental charge transport parameter, and measurements of conductivity are a basic part of materials characterization for nearly all conducting materials. In thin films, conductivity is often measured in four bar architectures in which the current source and voltage measurement are spatially separated to eliminate systematic error due to contact resistance. De… ▽ More Electrical conductivity is the most fundamental charge transport parameter, and measurements of conductivity are a basic part of materials characterization for nearly all conducting materials. In thin films, conductivity is often measured in four bar architectures in which the current source and voltage measurement are spatially separated to eliminate systematic error due to contact resistance. Despite the apparent simplicity of these measurements, we demonstrate here that the four bar architecture is subject to significant systematic error arising from the finite conductivity of the metal electrodes. Remarkably, these systematic errors can in some cases become unbounded, producing arbitrarily high measured conductivity at modest true film conductivities, within the range relevant to emerging thin film thermoelectric materials such as conducting polymers. These unbounded errors, which can occur even in properly conducted four-point measurements of patterned films, likely explain literature reports of extremely high conductivities in conducting polymers, and can lead to anomalous scaling in temperature dependent studies, potentially leading to incorrect interpretation of the relevant charge transport mechanism. We characterize the device geometric factors that control these errors, which stand partially at odds with those required for accurate Seebeck coefficient measurements. Our analyses allow us to identify device architectures that provide small systematic errors for conductivity and Seebeck coefficient while still providing a low measurement resistance, critical to reducing noise in thermal voltage measurements. These findings provide important guidelines for accurate measurements in the growing field of thin-film thermoelectric materials. △ Less

Submitted 4 February, 2026; v1 submitted 2 February, 2026; originally announced February 2026.

Comments: Corrected typos

Putting machine learning to the test in a quantum many-body system

Authors: Yilun Gao, Alberto Rodríguez, Rudolf A. Römer

Abstract: Quantum many-body systems pose a formidable computational challenge due to the exponential growth of their Hilbert space. While machine learning (ML) has shown promise as an alternative paradigm, most applications remain at the proof-of-concept stage, focusing narrowly on energy estimation at the lower end of the spectrum. Here, we push ML beyond this frontier by extensively testing HubbardNet, a… ▽ More Quantum many-body systems pose a formidable computational challenge due to the exponential growth of their Hilbert space. While machine learning (ML) has shown promise as an alternative paradigm, most applications remain at the proof-of-concept stage, focusing narrowly on energy estimation at the lower end of the spectrum. Here, we push ML beyond this frontier by extensively testing HubbardNet, a deep neural network architecture for the Bose-Hubbard model. Pushing improvements in the optimizer and learning rates, and introducing physics-informed output activations that can resolve extremely small wave-function amplitudes, we achieve ground-state energy errors reduced by orders of magnitude and wave-function fidelities exceeding 99%. We further assess physical relevance by analysing generalized inverse participation ratios and multifractal dimensions for ground and excited states in one and two dimensions, demonstrating that optimized ML models reproduce localization, delocalization, and multifractality trends across the spectrum. Crucially, these qualitative predictions remain robust across four decades of the interaction strength, e.g. spanning across superfluid, Mott-insulating, as well as quantum chaotic regimes. Together, these results suggest ML as a viable qualitative predictor of many-body structure, complementing the quantitative strengths of exact diagonalization and tensor-network methods. △ Less

Submitted 2 February, 2026; originally announced February 2026.

Anisotropic Gyromagnetic Ratio and Orthogonal Einstein-de Haas Effect

Authors: Rui Xue, Zhenhua Qiao, Yang Gao, Qian Niu

Abstract: We theoretically demonstrate an orthogonal Einstein-de Haas effect, where the rotation of ferromagnetic materials is caused by the change of magnetization in the direction orthogonal to the rotation axis. This amounts to an anisotropic gyromagnetic ratio. To reveal its microscopic origin, we treat the spin-orbit coupling as a perturbation, integrate out the electronic degree of freedom, and show t… ▽ More We theoretically demonstrate an orthogonal Einstein-de Haas effect, where the rotation of ferromagnetic materials is caused by the change of magnetization in the direction orthogonal to the rotation axis. This amounts to an anisotropic gyromagnetic ratio. To reveal its microscopic origin, we treat the spin-orbit coupling as a perturbation, integrate out the electronic degree of freedom, and show that in collinear ferromagnets the phonon angular momentum admits a dipolar structure in the spin-order space due to the constraint of the spin group symmetry. The spin-flipping and spin-conserving parts of the spin-orbit coupling contribute differently to such a dipolar structure. All these features are exemplified in a lattice electron-phonon model with ferromagnetic order and $C_{1h}$ point group symmetry. Our work lays the ground for revealing the connection between phonon angular momentum and general spin-order configurations. △ Less

Submitted 24 January, 2026; originally announced January 2026.

Comments: 6 pages, 2 figures

Electronic procrystalline state in moire structures

Authors: Hui Guo, Zihao Huang, Yixuan Gao, Haowei Chen, Hao Zhang, Qian Fang, Yuhan Ye, Xianghe Han, Zhongyi Cao, Jiayi Wang, Runnong Zhou, Zhilin Li, Chengmin Shen, Haitao Yang, Hui Chen, Wang Yao, Ziqiang Wang, Hong-Jun Gao

Abstract: Solid state materials can display varieties of atomic structural orders ranging from crystalline to amorphous, underlying their properties and diverse functionalities. Procrystal has emerged as a new category of solids, featuring a long-range ordered lattice framework tiled with disordered atomic or molecular structures on the lattice sites, arousing great interest due to its novel structural and… ▽ More Solid state materials can display varieties of atomic structural orders ranging from crystalline to amorphous, underlying their properties and diverse functionalities. Procrystal has emerged as a new category of solids, featuring a long-range ordered lattice framework tiled with disordered atomic or molecular structures on the lattice sites, arousing great interest due to its novel structural and physical properties. However, the electronic analogue of a procrystal, dubbed as an electronic procrystalline (EPC) state, has never been experimentally observed. Here, we report the observation of an EPC state in a moire superstructure formed between a monolayer metallic NiTe2 and a superconductor NbSe2 with incommensurate lattice wavevectors. The observed EPC state exhibits a long-range periodic charge modulation at the moire scale inlaid with short-range irregular orders within each moire cell. Strikingly, the short-range charge orders inside the moire unit cells have proximately root3*root3 quasi-period, which is absent in pristine NiTe2. Intriguingly, the EPC order is also observed in the superconducting state of the moire superstructure. Furthermore, the emergent EPC state and short-range charge order, coexisting with the proximity induced superconductivity, can be precisely modulated with the thickness of NiTe2. Our findings uncover the potential of moire platform for understanding and tuning novel correlated quantum phases with this exotic procrystalline order. △ Less

Submitted 13 January, 2026; originally announced January 2026.

Comments: 20 Pages, 5 Figures

Journal ref: Nature Communications 16, 11327 (2025)

Electric field switching of altermagnetic spin-splitting in multiferroic skyrmions

Authors: Gui Wang, Yuhang Li, Bin Li, Xianzhe Chen, Jianting Dong, Weizhao Chen, Xiaobing Chen, Naifu Zheng, Maosen Guo, Aomei Tong, Hua Bai, Hongrui Zhang, Yifan Gao, Kaiwen Shen, Jiangyuan Zhu, Jiahao Han, Yingfen Wei, Hao Jiang, Xumeng Zhang, Ming Wang, Kebiao Xu, Wu Shi, Pengfei Wang, Jia Zhang, Qihang Liu , et al. (4 additional authors not shown)

Abstract: Magnetic skyrmions are localized magnetic structures that retain their shape and stability over time, thanks to their topological nature. Recent theoretical and experimental progress has laid the groundwork for understanding magnetic skyrmions characterized by negligible net magnetization and ultrafast dynamics. Notably, skyrmions emerging in materials with altermagnetism, a novel magnetic phase f… ▽ More Magnetic skyrmions are localized magnetic structures that retain their shape and stability over time, thanks to their topological nature. Recent theoretical and experimental progress has laid the groundwork for understanding magnetic skyrmions characterized by negligible net magnetization and ultrafast dynamics. Notably, skyrmions emerging in materials with altermagnetism, a novel magnetic phase featuring lifted Kramers degeneracy-have remained unreported until now. In this study, we demonstrate that BiFeO3, a multiferroic renowned for its strong coupling between ferroelectricity and magnetism, can transit from a spin cycloid to a Neel-type skyrmion under antidamping spin-orbit torque at room temperature. Strikingly, the altermagnetic spin splitting within BiFeO3 skyrmion can be reversed through the application of an electric field, revealed via the Circular photogalvanic effect. This quasiparticle, which possesses a neutral topological charge, holds substantial promise for diverse applications-most notably, enabling the development of unconventional computing systems with low power consumption and magnetoelectric controllability. △ Less

Submitted 10 January, 2026; originally announced January 2026.

Symmetry-engineered and electrically tunable in-plane anomalous Hall effect in oxide heterostructures

Authors: Kunjie Dai, Zhen Wang, Wenfeng Wu, Feng Jin, Enda Hua, Nan Liu, Jingdi Lu, Jinfeng Zhang, Yuyue Zhao, Linda Yang, Kai Liu, Huan Ye, Qiming Lv, Zhengguo Liang, Ao Wang, Dazhi Hou, Yang Gao, Shengchun Shen, Jing Tao, Liang Si, Wenbin Wu, Lingfei Wang

Abstract: The family of Hall effects has long served as a premier probe of how symmetry, magnetic order, and topology intertwine in solids. Recently, the in-plane anomalous Hall effect (IP-AHE), a transverse Hall response driven by in-plane magnetization, has emerged as a distinct member of this family, offering innovative spintronic functionalities and illuminating intricate interplay between mirror-symmet… ▽ More The family of Hall effects has long served as a premier probe of how symmetry, magnetic order, and topology intertwine in solids. Recently, the in-plane anomalous Hall effect (IP-AHE), a transverse Hall response driven by in-plane magnetization, has emerged as a distinct member of this family, offering innovative spintronic functionalities and illuminating intricate interplay between mirror-symmetry breaking and in-plane magnetic order. However, practical routes to deterministically and reversibly control IP-AHE remain limited. Here, we establish a symmetry-engineered IP-AHE platform, CaRuO3/La2/3Ca1/3MnO3/CaRuO3 heterostructure on NdGaO3(110), that turns strict mirror-symmetry breaking constraints into effective tuning knobs. IP-AHE in these epitaxial trilayers unambiguously couples to the CaRuO3-buffer-induced mirror-symmetry breaking and faithfully reproduces the ferromagnetic hysteresis. Ionic liquid gating further enables reversible reconfigurations of the symmetry breaking, thereby achieving electrical modulation and ON/OFF switching of IP-AHE. This highly tunable IP-AHE platform opens pathways for exploring nontrivial magnetic order and developing programmable Hall functionalities in planar geometries. △ Less

Submitted 8 January, 2026; originally announced January 2026.

Atomic-scale spin sensing of a 2D $d$-wave altermagnet via helical tunneling

Authors: Zhuying Wang, Shuikang Yu, Xingkai Cheng, Xiaoyu Xiao, Wanru Ma, Feixiong Quan, Hongxi Song, Kunming Zhang, Yunmei Zhang, Yitian Ma, Wenhao Liu, Priti Yadav, Xiangbiao Shi, Zhijun Wang, Qian Niu, Yang Gao, Bin Xiang, Junwei Liu, Zhenyu Wang, Xianhui Chen

Abstract: Altermagnetism simultaneously possesses nonrelativistic spin responses and zero net magnetization, thus combining advantages of ferromagnetism and antiferromagnetism. This superiority originates from its unique dual feature, i.e., opposite-magnetic sublattices in real space and alternating spin polarization in momentum space enforced by the same crystal symmetry. Therefore, the determination of an… ▽ More Altermagnetism simultaneously possesses nonrelativistic spin responses and zero net magnetization, thus combining advantages of ferromagnetism and antiferromagnetism. This superiority originates from its unique dual feature, i.e., opposite-magnetic sublattices in real space and alternating spin polarization in momentum space enforced by the same crystal symmetry. Therefore, the determination of an altermagnetic order and its unique spin response inherently necessitates atomic-scale spin-resolved measurements in real and momentum spaces, an experimental milestone yet to be achieved. Here, via utilizing the helical edge (hinge) modes of a higher order topological insulator as the spin sensor, we realize spin-resolved scanning tunneling microscopy which enables us to pin down the dual-space feature of a layered $d$-wave altermagnet, KV$_2$Se$_2$O. In real space, atomic-registered mapping demonstrates the checkerboard antiferromagnetic order together with density-wave lattice modulation, and in momentum space, spin-resolved spectroscopic imaging provides a direct visualization of d-wave spin splitting of the band structure. Critically, using this new topology-guaranteed spin filter we directly reveal the unidirectional, spin-polarized quasiparticle excitations originating from the crystal symmetry-paired X and Y valleys around opposite magnetic sublattices simultaneously --the unique spin response for $d$-wave altermagnetism. Our experiments establish a solid basis for the exploration and utilization of altermagnetism in layered materials and further facilitate access to atomic-scale spin sensing and manipulating of 2D quantum materials. △ Less

Submitted 29 December, 2025; originally announced December 2025.

Comments: 21 pages and 5 figures. Extended data figures and Supplementary notes are available from the corresponding author upon request. Comments are welcome

A Dual-Gate Altermagnetic Tunnel Junction Based on Bilayer Cr$_{2}$SeO

Authors: Yunfei Gao, Aolin Li, Zesen Fu, Bei Zhang, Haiming Duan, Fangping Ouyang

Abstract: Altermagnets demonstrate significant potential in spintronics due to their unique non-relativistic spin-splitting properties, yet altermagnetic devices still face challenges in efficiently switching logic states. Here, we report electrostatically controllable spin-momentum locking in bilayer Cr$_{2}$SeO and design a dual-gate altermagnetic tunnel junction (AMTJ), which can switch between high and… ▽ More Altermagnets demonstrate significant potential in spintronics due to their unique non-relativistic spin-splitting properties, yet altermagnetic devices still face challenges in efficiently switching logic states. Here, we report electrostatically controllable spin-momentum locking in bilayer Cr$_{2}$SeO and design a dual-gate altermagnetic tunnel junction (AMTJ), which can switch between high and low resistance states without switching the Néel vector. First-principles calculations demonstrate that vertical electric field can induce significant spin splitting in bilayer Cr$_{2}$SeO. Reversing the electric field direction can alter the spin-momentum locking in bilayer Cr$_{2}$SeO. Leveraging this electric-field-tunable spin splitting, the dual-gate AMTJ exhibits an ultrahigh tunneling magnetoresistance (TMR) ratio of $10^{7}$. This work provides theoretical support for the design of fully electrically controlled AMTJs and demonstrates their great potential for applications in spintronic devices. △ Less

Submitted 14 February, 2026; v1 submitted 29 December, 2025; originally announced December 2025.

Experimental Evidence of Néel-order-driven Magneto-optical Kerr Effect in an Altermagnetic Insulator

Authors: Haolin Pan, Rui-Chun Xiao, Jiahao Han, Hongxing Zhu, Junxue Li, Qian Niu, Yang Gao, Dazhi Hou

Abstract: The magneto-optical Kerr effect (MOKE) is investigated in hematite, a collinear antiferromagnetic insulator, across a broad wavelength spectrum. By combining the optical measurements with magnetometry results, we unambiguously demonstrate that the Néel-order contribution dominates the MOKE signal, while contributions from net magnetization and external magnetic fields are negligible. This conclusi… ▽ More The magneto-optical Kerr effect (MOKE) is investigated in hematite, a collinear antiferromagnetic insulator, across a broad wavelength spectrum. By combining the optical measurements with magnetometry results, we unambiguously demonstrate that the Néel-order contribution dominates the MOKE signal, while contributions from net magnetization and external magnetic fields are negligible. This conclusion is quantitatively supported by first-principles calculations, and qualitatively by a symmetry analysis that the Néel contribution appears at the first order in spin-orbit coupling while the magnetization contribution starts only at the third order. This study clarifies the altermagnetic origin of the pronounced MOKE in hematite, underscoring the potential of altermagnets as a promising new class of magneto-optical materials. △ Less

Submitted 23 December, 2025; v1 submitted 7 December, 2025; originally announced December 2025.