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Physics Condensed Matter

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Wednesday 24 December

Strongly Correlated Electrons

Microscopic Constructions of the $BF+AAB$ Topological Field Theory and Borromean-Rings Braiding in $(3+1)$ Dimensions

Topological order was first studied in fractional quantum Hall states, where anyons reflect electron fractionalization. Recent advances in continuum topological field theories have revealed braiding, fusion, shrinking, and diagrammatic consistency relations in higher dimensions [e.g., Huang, Zhang, Ye, JHEP 11 (2023) 210; JHEP 06 (2025) 238]. As the next step of research, these advances call for explicit microscopic lattice constructions that faithfully reproduce the structures and processes described by continuum field theories. Here we construct, step by step, microscopic counterparts of the $(3+1)$-dimensional $BF$ field theory with an $AAB$ twist and gauge group $(\mathbb{Z}_2)^3$. This field theory was introduced in our earlier work on Borromean-Rings braiding [Chan, Ye, Ryu, Phys. Rev. Lett. 121, 061601 (2018)]. We start with the construction of string and thickened membrane operators that create, fuse, shrink, and braid particle and loop excitations, providing microscopic counterparts of Wilson operators in continuum field theories. We derive fusion and shrinking rules and the operators governing particle–loop and Borromean-Rings braiding. We demonstrate selective control of non-Abelian shrinking channels through the internal degrees of freedom of loop operators and establish fusion–shrinking consistency for arbitrary finite groups. An explicit correspondence between all 22 excitations of the $\mathbb{D}_4$ quantum double lattice model and the $BF+AAB$ theory preserves fusion and shrinking rules and particle–loop and Borromean-Rings braiding phases. These constructions place the continuum results on a microscopic lattice footing with tensor-product local Hilbert spaces and short-range interactions.
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All authors Yizhou Huang, Zhi-Feng Zhang, Qing-Rui Wang, Peng Ye

Materials Science · Cross-listed from quant-ph

Thermodynamic sampling of materials using neutral-atom quantum computers

Neutral-atom quantum hardware has emerged as a promising platform for programmable many-body physics. In this work, we develop and validate a practical framework for extracting thermodynamic properties of materials using such hardware. As a test case, we consider nitrogen-doped graphene. Starting from Density Functional Theory (DFT) formation energies, we map the material energetics onto a Rydberg-atom Hamiltonian suitable for quantum annealing by fitting an on-site term and distance-dependent pair interactions. The Hamiltonian derived from DFT cannot be implemented directly on current QuEra devices, as the largest energy scale accessible on the hardware is two orders of magnitude smaller than the target two-body interaction in the material. To overcome this limitation, we introduce a rescaling strategy based on a single parameter, $\alpha_v$, which ensures that the distribution sampled by the hardware is well described by Boltzmann-like weights corresponding to those of the material at an effective temperature $T^{\prime} = \alpha_v T$, where $T$ is the device sampling temperature. This rescaling also establishes a direct correspondence between the global laser detuning $\Delta_g$ and the grand-canonical chemical potential $\Delta\mu$. We validate the method on a 28-site graphene nanoflake using exhaustive enumeration, and on a larger 78-site system where Monte Carlo sampling confirms preferential sampling of low-energy configurations.
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All authors Bruno Camino, Mao Lin, John Buckeridge, Scott M. Woodley

Materials Science · Cross-listed from quant-ph

Photoexcitation of moiré-trapped interlayer excitons via chiral phonons

Moiré superlattices in transition-metal dichalcogenide semiconductor heterobilayers enable the quantum confinement of interlayer excitons with large out-of-plane permanent electric dipoles and spin-valley control. Here, we report a novel phonon-assisted excitation mechanism of individual moiré-trapped interlayer excitons in 2H-stacked MoSe$_2$/WSe$_2$ heterobilayers via chiral $E^{\prime\prime}$ in-plane optical phonons at the {\Gamma}-point. This excitation pathway preserves valley-selective optical selection rules and enables deterministic generation of individual interlayer excitons with defined helicity, emitting within a spectrally narrow energy spread. Through photoluminescence excitation spectroscopy in both the ensemble and quantum emitter regimes, we identify a fixed phonon energy of $\sim$23 meV mediating the process. First-principles calculations corroborate the symmetry and energy of the relevant phonon mode and its coupling to interlayer excitons, providing microscopic support for the observed valley-selective phonon-assisted excitation mechanism. Our results highlight the utility of chiral phonons as a tool for controlled excitation of quantum emitters in TMD moiré systems, opening new opportunities for valleytronic and quantum photonic applications.
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All authors A. Borel, T. V. Ivanova, J. Cervantes-Villanueva, P. Thor, H. Baek, T. Taniguchi, K. Watanabe, A. Molina-Sanchez, B. D. Gerardot, M. Brotons-Gisbert

Mesoscale and Nanoscale Physics

Topological Interface States and Nonlinear Thermoelectric Performance in Armchair Graphene Nanoribbon Heterostructures

We investigate the emergence and topological nature of interface states (IFs) in N-AGNR/$(N-2)$-AGNR/N-AGNR heterostructure (AGNRH) segments lacking translational symmetry, focusing on their relation to the end states (ESs) of the constituent armchair graphene nanoribbon (AGNR) segments. For AGNRs with $R_1$-type unit cells, the ES numbers under a longitudinal electric field follow the relations $N = N_{A(B)} \times 6 + 1$ and $N = N_{A(B)} \times 6 + 3$, whereas $R_2$-type unit cells exhibit $(N_{A(B)} + 1)$ ESs. The subscripts $A$ and $B$ denote the chirality types of the ESs. The Stark effect lifts ES degeneracy and enables clear spectral separation between ESs and IFs. Using a real-space bulk boundary perturbation approach, we show that opposite-chirality states hybridize through junction-site perturbations and may shift out of the bulk gap. The number and chirality of IFs in symmetric AGNRHs are determined by the difference between the ESs of the outer and central segments, $N_O$ and $N_C$, according to $N_{IF,\beta} = |N_{O,B(A)} - N_{C,A(B)}|$, where $\beta$ labels the chirality. Depending on whether $N_O > N_C$ or $N_C > N_O$, the resulting IFs acquire B- or A-chirality, respectively. Calculated transmission spectra ${\cal T}_{GNR}(\varepsilon)$ reveal that AGNRHs host a topological double quantum dot (TDQD) when IFs originate from the ESs of the central AGNR segment. Using an Anderson model with effective intra-dot and inter-dot Coulomb interactions, we derive an analytical expression for the tunneling current through the TDQD via a closed-form transmission coefficient. Thermoelectric analysis shows that TDQDs yield enhanced nonlinear power output in the electron-dilute and hole-dilute charge states, with Coulomb blockade suppressing thermal current but not thermal voltage.
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Mesoscale and Nanoscale Physics · Cross-listed from quant-ph

Holonomic multi-controlled gates for single-photon states

Controlled and multi-controlled quantum gates, whose action on a target qubit depends on the state of multiple control qubits, represent a fundamental logical building block for complex quantum algorithms. We propose a scheme for realizing this class of gates based on non-Abelian holonomies in modulated photonic waveguide networks. Our approach relies on linear photonic cicuits formed by two star networks coupled via a two-path circuit. A star network with M peripheral waveguides coupled to a single central site, or M-pod, naturally generalizes the tripod structure used in non-Abelian Thouless pumping and stimulated Raman adiabatic passage (STIRAP). In the present work, we first analyze the minimal case of two connected tripods and design adiabatic driving loops that implement single-qubit, CNOT, and SWAP gates. We then show how extending the approach to larger M-pod structures enables the realization of multiply controlled operations, which we exemplify by designing Toffoli and the OR gate on two coupled pentapods. Finally, we demonstrate that networks of connected tripods can implement the Deutsch quantum query algorithm.
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All authors Carlo Danieli, Valentina Brosco, Claudio Conti, Laura Pilozzi

Materials Science

Ferromagnetic interface engineering of spin-charge conversion in RuO$_2$

Spin-orbit torque efficiency is conventionally fixed by bulk materials. $D$-wave altermagnets introduce an additional nonrelativistic spin-charge conversion channel beyond inverse spin-Hall effect. Using prototypical candidate RuO$_2$ as an example, we show that the adjacent ferromagnet alone can dictate both the magnitude and sign of spin-charge conversion. Spin-pumping measurements on RuO$_2$/Y$_3$Fe$_5$O$_{12}$ (YIG) and RuO$_2$/Ni$_{80}$Fe$_{20}$ (Py) bilayers yield opposite effective spin-Hall angles that persist across crystalline and polycrystalline RuO$_2$. Inserting an ultrathin Au spacer at the RuO$_2$/YIG interface reverses the signal, envidencing a dominant interfacial inverse Rashba-Edelstein effect, whereas RuO$_2$/Py is governed by bulk inverse spin-Hall effect. First-principles calculations trace this dichotomy to interface-selective band hybridization: Rashba surface states survive at the insulating YIG contact yet are quenched by metallic Py. Our findings establish ferromagnetic interfacing as a deterministic knob for tailoring spin-charge conversion in altermagnetic oxides, paving the way to field-free, low-dissipation spintronic memory devices.
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All authors Dongchao Yang, Zhaoqing Li, Yu Dai, Lili Lang, Zhong Shi, Zhe Yuan, Shi-Ming Zhou

Strongly Correlated Electrons

Optical Detection and Manipulation of Pseudospin Orders in Wigner Crystals

In Wigner-crystal states of two-dimensional electrons, the spin ordering remains poorly understood. The small energy differences between candidate spin orders make theoretical studies less reliable, and probing magnetic order at a nonzero wave vector is experimentally challenging. In modern realizations of Wigner crystals, the electronic spin degree of freedom is often replaced by a valley pseudospin associated with nonzero Berry curvature. The resulting anomalous velocity couples the electrons' pseudospin texture to their orbital vibration. We show that this mechanism enables optical detection of pseudospin orders in Wigner crystals by producing sharp signatures in the terahertz optical conductivity. For example, antiferromagnetic pseudospin order enables light to excite collective electronic vibrations at the ordering wave vector, generating a characteristic absorption peak. Based on the same principle, we further show that a strong optical drive generates an effective potential that reshapes the pseudospin energy landscape, inducing phase transitions to stripe antiferromagnetic states. These results point to a route for optical detection and control of spin order via its coupling to orbital motion.
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Materials Science

Active Learning Guided Computational Discovery of 2D Materials with Large Spin Hall Conductivity

Two-dimensional (2D) materials are promising candidates for next-generation spintronic devices due to their tunable properties and potential for efficient spin-charge interconversion. However, discovering materials with intrinsically high spin Hall conductivity (SHC) is hindered by the vast chemical space and expensive nature of conventional experimental and first-principles methods. In this work, we employ an active learning framework to accelerate the discovery of high-SHC 2D materials. Machine learning (ML) models were trained on SHC values computed from density functional theory calculations, incorporating the Kubo formalism via tight-binding Hamiltonians constructed from maximally localized Wannier functions, with explicit treatment of spin-orbit coupling. Starting from random but chemically diverse 24 2D systems, the dataset was expanded to 41 cases (from an overall pool of around 2000 materials) over three active learning loops using an expected improvement acquisition strategy. The ML technique successfully identified several high SHC candidates with the best candidate exhibiting a SHC of 271.52 (hbar/e) Ohm^-1, nearly 23 times higher than the top performer in the initial round. Beyond candidate discovery, several features such as orbital symmetry near the Fermi energy, types of atomic species, material composition, covalent radii, and electronegativity of constituent atoms were found to play critical role in shaping the spin Hall response in 2D systems. The data generated is made publicly available to facilitate further advances in 2D spintronics.
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All authors Abhijeet J. Kale, Sanjeev S. Navaratna, Pratik Sahu, Henry Chan, B. R. K. Nanda, Rohit Batra

Strongly Correlated Electrons

Hysteretic Phonons and Quasielastic Response: A Raman Study of Thermal Memory in Two-dimensional CuCrP2S6

We present a comprehensive temperature and polarization dependent inelastic light scattering (Raman) study on single crystals of two-dimensional CuCrP2S6, a layered van der Waals material exhibiting coupled magnetic and electric degrees of freedom. Raman measurements were performed from 5 to 300 K to probe phonon dynamics across multiple structural and magnetic phase transitions. Our analysis reveals pronounced thermal hysteresis in phonon self-energy parameters and dynamic Raman susceptibility, confirming the first-order nature of the antipolar transition near TC1 ~ 145 K and a second-order transition near TC2 ~ 190 K. Low-frequency modes associated with Cu+ and Cr3+ ions exhibit softening and anomalous linewidth behaviour, in particular phonon mode P2 (~ 37 cm-1) showing non-monotonic temperature dependence and intensity enhancement near 60 K suggesting persistent off-centre Cu+ dynamics in the quasi-antipolar phase. The coexistence and coupling of soft phonon modes and central peaks indicate a crossover from displacive to order-disorder type transition mechanisms. Additionally, phonon anomalies below the Néel temperature (TN ~ 32 K) reflect spin-phonon coupling, linking lattice vibrations to long-range magnetic correlations. Our findings provide critical insight into the lattice instabilities, symmetry evolution, and quasiparticle interactions in CuCrP2S6, offering a deeper understanding of phase transition dynamics in two-dimensional multiferroic systems and guiding future design of magnetoelectric and spintronic devices.
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All authors Chaitanya B. Auti, Atul G. Chakkar, Sebastian Selter, Yuliia Shemerliuk, Bernd Büchner, Saicharan Aswartham, Pradeep Kumar

Materials Science

From cluster to nanocrystal: the continuous evolution and critical size of copper clusters revealed by machine learning

The evolution of cluster structure with size and the critical size for the transition from cluster to nanocrystal have long been fundamental problems in nanoscience. Due to limitations of experimental technology and computational methods, the exploration of the continuous evolution of clusters towards nanocrystal is still a big challenge. Here, we proposed a machine learning force field (MLFF) that can generalize well to various copper systems ranging from small clusters to large clusters and bulk. The continuous evolution of copper clusters CuN towards nanocrystal was revealed by investigating clusters in a wide size range (7 <= N <= 17885) based on MLFF simulated annealing. For small CuN (N < 40), electron counting rule plays a major role in stability. For large CuN (N > 80), geometric magic number rule plays a dominant role and the evolution of clusters is based on the formation of more and more icosahedral shells. For medium size CuN (40 <= N <= 80), both rules contribute. The critical size from cluster to nanocrystal was calculated to be around 8000 atoms (about 6 nm in diameter). Our work terminates the long-term challenge in nanoscience, and lay the methodological foundation for subsequent research on other cluster systems.
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All authors Hongsheng Liu, Luneng Zhao, Yaning Li, Yuan Chang, Shi Qiu, Xiao Wang, Junfeng Gao, Feng Ding

Statistical Mechanics

Collective behavior of independent scaled Brownian particles with renewal resetting

We study fluctuations of an ensemble of $N$ independent particles undergoing anomalous diffusion with random renewal resetting. The anomalous diffusion is modeled by the scaled Brownian motion (sBm): a Gaussian process, characterized by a power-law time dependence of the diffusion coefficient, $D(t)\sim t^{2H-1}$, where $H>0$. The particles independently reset to the origin, and each particle's clock is set to zero upon spatial resetting. Employing the known steady-state position distribution of a single particle undergoing the sBm with renewal resetting [Bodrova et al., Phys. Rev. E 100, 012120 (2019)], we study the statistics of the system radius $\ell$ and of the center of mass (COM) of $N\gg 1$ particles. Typical fluctuations of $\ell$ fall under the Gumbel universality class for all $H>0$, and we use extreme value statistics to calculate the moments of $\ell$. We show that, for $H>1/2$, large deviations of the COM exhibit an anomalous scaling behavior. We also uncover a singularity in the corresponding rate function at $N\to\infty$, which is caused by a “big jump" effect.
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Soft Condensed Matter

Wave-Like Statistics from Classical Active Particles with Internal Degrees Of Freedom

Wave-like spatial statistics in walking-droplet systems are often associated with wave-mediated interactions and wave-memory effects. Here we explore how similar statistical structure can arise from the low-dimensional nonlinear dynamics of an inertial active particle with internal degrees of freedom. In this framework, steady propulsion corresponds to internal-state fixed points whose spiral or transiently chaotic relaxation organizes oscillatory ensemble densities. Local perturbations then generate wave-like statistics in both open and closed geometries, suggesting that wave-like ensemble behavior may emerge more generally from internal-state attractor dynamics in inertial active matter.
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Strongly Correlated Electrons · Cross-listed from hep-th

Black hole as a multipartite entangler: multi-entropy in AdS${}_3$/CFT${}_2$

We study multipartite entanglement in typical pure states holographically dual to pure BTZ black holes, using multi-entropy and its “genuine” version. In the bulk, these quantities are computed by minimal geodesic networks (so-called Steiner trees). We find that at sufficiently high temperature, the genuine tripartite multi-entropy exhibits a volume-law scaling in sharp contrast to vacuum AdS$_3$, where the genuine contribution is universal and size-independent. Moreover, we find another phase: once one subsystem exceeds half of the total system, the leading genuine tripartite entanglement vanishes and reduces to that for global AdS${}_3$. This transition is indeed consistent with recent arguments for distillable EPR pairs in tripartite Haar-random states. Motivated by finite-cutoff holography, we further study the radial cutoff dependence of multi-entropy and show that genuine multi-entropy acquires nontrivial size dependence even for the tripartite case in AdS${}_3$. As a byproduct, we also observe an intriguing “area-law” contribution to multi-entropy that is relevant to vacuum AdS${}_3$.
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Other Condensed Matter · Cross-listed from physics.optics

Complex Refractive Index Extraction for Spintronic Terahertz Emitter Analysis

Spintronic terahertz emitters (STEs) generate broadband terahertz (THz) radiation, which is essential for spectroscopy, imaging, and communication. The performances and the essential physical parameters of STE devices are linked to the dielectric properties of the constituent materials. Terahertz time-domain spectroscopy (THz-TDS) is an effective tool to measure these properties, but conventional analysis struggles with thin or complex multilayered systems due to simplifying approximations or complex transfer functions. In this work, we present a practical method to extract dielectric properties of STE multilayers using the Transfer Matrix Method (TMM). By comparing the THz pulse calculated using the Transfer Matrix Method (TMM) with the experimentally measured pulse transmitted through the sample, we can extract the dielectric properties of STEs, enhancing THz-TDS analysis and facilitating STE design and optimization. This method avoids constructing complex transfer functions, accommodates diverse sample geometries, and is designed to be accessible, with a publicly available codebase, making it a useful tool for STE research.
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All authors Yingshu Yang, Keynesh Dongol, Stefano Dal Forno, Ziqi Li, Piyush Agarwal, Amalini Mansor, Ranjan Singh, Marco Battiato, Elbert E. M. Chia, Guoqing Chang

Materials Science

Realization of Insulating Buffer Layers via MOCVD-Grown Nitrogen-Doped (010) e̱ta}-Ga2O3

We present MOCVD-grown, nitrogen-doped e̱ta}-Ga2O3 films as an insulating buffer layer on Fe-doped (010) e̱ta}-Ga2O3 substrates in lieu of 49% HF treatment to remove unintentional silicon at the substrate-epitaxial layer growth interface. N-doped layer thickness and NH3 flow were systematically varied to experimentally determine the lowest nitrogen concentration and thickness of the buffer layer needed to fully compensate the interfacial silicon peak. The NH3 molar flow rate was varied from 200 sccm to 1800 sccm. Results showed fully insulating N-doped layers for samples with NH3 flow rates greater than or equal to 1200 sccm and a thickness of 50 nm. This study demonstrates the efficacy of in-situ, controllably doped nitrogen buffer layers as a mitigation method for unintentional interfacial silicon at the substrate-epitaxial layer growth interface.
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Materials Science

Ab initio Approach to Collective Excitations in Excitonic Insulators

An ab initio approach is presented for studying the collective excitations in excitonic insulators, charge/spin density waves and superconductors. We derive the Bethe-Salpeter-Equation for the particle-hole excitations in the quasiparticle representation, from which the collective excited states are solved and the corresponding order parameter fluctuations are computed. This method is demonstrated numerically for the excitonic insulating phases of the biased WSe2-MoSe2 bilayer. It reveals the gapless phase-mode, the subgap Bardasis-Schrieffer modes and the above-gap scattering states. Our work paves the way for quantitative predictions of excited state phenomena from first-principles calculations in electronic systems with spontaneous symmetry breaking.
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Superconductivity

Evidence for Clean d-wave Superconductivity in Samarium Nickelates

The discovery of superconducting nickelates provides a unique opportunity to explore the pairing mechanism of high-temperature superconductivity. Here, we use ultrafast terahertz spectroscopy to probe the temperature-dependent superfluid density in an infinite-layer samarium nickelate film with a Tc of 20 K. The superfluid density decreases linearly with rising temperature, consistent with clean limit d-wave pairing. From this linear relation, we extract a superconducting gap of 2.5 meV and a gap-to-Tc ratio of 3, suggesting that this sample lies in the weak-coupling limit. Furthermore, the ratio of the mean free path to the coherence length, is determined to be 1.5, confirming the clean-limit behavior. These findings establish strong parallels between the pairing mechanisms in nickelate and cuprate superconductors.
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All authors Qingming Huang, Xiaofang Fu, Junlong Wu, Laifeng Li, Liang Qiao, Ye Yang

Materials Science

Deciphering the lattice vibrational behaviors of CuInP2S6 by angle-resolved polarized Raman scattering

The layered van der Waals (vdW) ferroelectric CuInP2S6 (CIPS) exhibits unique cation hopping-driven phenomena that bring about unconventional properties with intriguing mechanisms and hold promises for advanced applications in nanoelectronics. However, an explicit analysis of its lattice dynamics and vibrational symmetries, pivotal for understanding the material's peculiar ferroelectric and ferroionic behaviors, remains incomplete. Here, we employ angle-resolved polarized Raman spectroscopy in concert with first-principles calculations to systematically unravel the anisotropic lattice vibrations of CIPS single crystals. By analyzing the polarization-dependent Raman intensities, we determine the symmetry assignments and Raman tensors of all major vibrational modes, revealing good agreement with theoretical predictions. Furthermore, we demonstrate the utility of Raman spectroscopy as a sensitive and non-invasive probe for structural and ferroelectric order evolution, by examining temperature-driven phase transitions and thickness-dependent polarization suppression in CIPS. Our findings establish a foundational framework for correlating lattice dynamics with functional properties in CIPS and provide a methodological blueprint for studying other vdW ferroelectrics.
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All authors Yiqi Hu, Jun-Jie Zhang, Zhou Zhou, Shun Wang, Qiankun Li, Yanfei Hou, Tianhao Ying, Lingling Yang, Jingyao Zhang, Shuzhong Yin, Yuyan Weng, Shuai Dong, Jianlin Yao, Liang Fang, Lu You

Strongly Correlated Electrons

Competing magnetic and topological orders in the spin-1 Kitaev-Heisenberg chain with single-ion anisotropy

We investigate the ground-state phase diagram of the spin-1 Kitaev–Heisenberg chain in the presence of uniaxial single-ion anisotropy (SIA) $D_z$ by density-matrix renormalization group (DMRG) calculations. By combining energy-curvature diagnostics on periodic $N=24$ clusters with a refined characterization based on order parameters and correlation functions for open chains up to $N=144$, we establish a comprehensive phase diagram in the $\phi$–$D_z$ plane. We identify four magnetically ordered phases – FM-$z$, FM-$xy$, Néel-$z$, and a two-sublattice collinear LLRR2 state – as well as magnetically disordered/critical regimes including Néel-$xy$, LLRR1, and two Kitaev spin-liquid (KSL) regions. A topological Haldane phase also emerges near the Heisenberg limit. Our results provide evidence that both AFM- and FM-KSL regimes acquire finite parameter widths in the spin-1 model, while the Haldane phase is fragile against Kitaev-type anisotropy, particularly for $D_z<0$. Increasing (decreasing) $D_z$ suppresses (enhances) magnetic order and expands (shrinks) the KSL and other magnetically disordered sectors. Also, at $D_z=0$, we identify an exactly solvable point at $\phi=\tan^{-1}(-2)$, which enforces a first-order transition between Néel-$z$ and LLRR2. We further contrast these findings with the spin-$1/2$ KH chain and with the spin-1 honeycomb KH model, highlighting the distinct roles of dimensionality and SIA in Kitaev-type magnets.
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Materials Science

A voltage-responsive strongly dipolar-coupled macrospin network with emergent dynamics for computing

Emergent behavior, which arises from local interactions between simple elements, is pervasive in nature. It underlies the energy-efficient computing in our brains. However, realizing such dynamics in artificial materials, particularly under low-energy stimuli, remains a fundamental challenge. While dipole-dipole interactions are typically suppressed in magnetic storage, here we harness and amplify them to construct a strongly dipolar-coupled network of SmCo5 macrospins at wafer scale, which can exhibit intrinsic interaction-driven collective dynamics in response to voltage pulses. The network combines three essential ingredients: strong dipolar coupling by large single-domain macrospin, giant voltage control of coercivity over nearly 1000-fold, and disordered network topology with frustrated Ising-like energy landscape. When stimulated by 1 V pulses, the network enters a regime where interaction-driven magnetic behaviors emerge, including spontaneous demagnetization, greatly enhanced magnetization modulation, reversible freeze and resume evolution and stochastic convergence toward low-energy magnetic configurations. All these behaviors are completely absent at the single-nanomagnet level. Furthermore, by constructing micromagnetic models of the strongly dipolar-coupled macrospin networks, we show that the resulting nonlinear, high-dimensional collective dynamics, intrinsic to strongly-interacting systems, can enable accurate chaotic Mackey-Glass prediction and multiclass drone-signal classification. Our work establishes the voltage-responsive strongly-coupled SmCo5 network as a mesoscopic platform for probing emergent magnetic dynamics previously inaccessible under ambient conditions. It also suggests a fundamental distinct route towards scalable, low-voltage computing, one rooted in native physical interaction-driven collective dynamics at the network level.
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All authors Xinglong Ye, Zhibo Zhao, Qian Wang, Jiangnan Li, Fernando Maccari, Ning Lu, Christian Dietz, Esmaeil Adabifiroozjaei, Leopoldo Molina-Luna, Yufeng Tian, Lihui Bai, Guodong Wang, Konstantin Skokov, Yanxue Chen, Shishen Yan, Robert Kruk, Horst Hahn, Oliver Gutfleisch

Strongly Correlated Electrons

Elementary excitations in undoped layered cuprates

Using the recently proposed bond-operator technique (BOT), we discuss spin dynamics of the Heisenberg spin-$\frac12$ antiferromagnet with the ring exchange and small interactions between the second- and the third-neighbor spins on the square lattice at $T=0$. This model was suggested before for description of parent compounds of high-temperature superconducting layered cuprates. BOT describes accurately short-range spin correlations in quantum systems and provides a quantitative description of elementary excitations which appear in other approaches as bound states of conventional low-energy quasiparticles. We demonstrate that besides well-known magnons (spin-1 excitations) there are three well-defined spin-0 quasiparticles in the considered model whose energies lie near the magnon spectrum. Two of them, the amplitude (Higgs) mode and the quasiparticle which we named singlon, produce pronounced anomalies observed experimentally in the Raman scattering, resonant inelastic x-ray scattering, and infrared optical absorption. We find sets of the model parameters which describe quantitatively experimental data obtained in $\rm La_2CuO_4$ and $\rm Sr_2CuO_2Cl_2$.
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Mesoscale and Nanoscale Physics

Spin and Orbital Angular Momentum Polarization in Thouless Topological Charge Pumping

Quantized charge pumping in one-dimensional chiral wires has been widely studied in the context of topological physics in a (1+1)-dimensional synthetic space, yet the role of orbital and spin degrees of freedom in such topological pumps remains largely unexplored. Here, we examine how the topologically quantized charge pump in insulators generates spin polarizations, and assess whether this mechanism may offer distinct insight into the widely known spin-selective transport in chiral wires-commonly referred to as chirality-induced spin selectivity. We performed time-dependent Schrodinger equations of multi-orbital tight-binding Hamiltonians driven by a circularly polarized electric field. Our main findings are twofold. First, the intrinsic screw-like geometry of the system generates a distinctive winding structure governed by a single control parameter, in contrast to conventional adiabatic pumping mechanisms that require at least two independently modulated parameters, thereby providing a clear interpretation of one-dimensional pumping in terms of the topological structure in a (1+1)-dimensional Brillouin zone. Second, while the energy gap remains open throughout the pumping cycle, the Berry-phase driven real-time dynamics of the charge flow induces a nonequilibrium orbital polarization. Through spin-orbit coupling, this orbital response is partially converted into spin polarization whose direction is determined by the current and chirality. On the analogy between the synthetic (1+1)- and 2-dimensional topological insulators, we suggest that non-trivial spin-orbital dynamics may accompany the anomalous quantum charge Hall states of even-dimensional real materials.
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All authors Esmaeil Taghizadeh Sisakht, Uiseok Jeong, Xiao jiang, Jinseok Oh, Yizhou Liu, Binghai Yan, Noejung Park

Superconductivity

Drastic field-induced resistivity upturns as signatures of unconventional magnetism in superconducting iron chalcogenides

Electronic scattering is a powerful tool to identify underlying changes in electronic behavior and incipient electronic and magnetic orders. The nematic and magnetic phases are strongly intertwined under applied pressure in FeSe, however, the additional isoelectronic substitution of sulphur offers an elegant way to separate them. Here we report the detailed evolution of the electronic and superconducting behaviour of FeSe$_{0.96}$S$_{0.04}$ under applied pressure via longitudinal magnetoresistance studies up to 15T. At intermediate pressures, inside the nematic phase, the resistivity displays an upturn in zero magnetic field, which is significantly enhanced in the magnetic field, suggesting the stabilization of a spin-density wave phase, which competes with superconductivity. At higher pressures, beyond the nematic phase boundaries, the resistivity no longer displays any clear anomalies in the zero magnetic field, but an external magnetic field induces significant upturns in resistivity reflecting a field-induced order, where superconductivity and magnetic anomalies are enhanced in tandem. This study highlights the essential role of high magnetic fields in stabilizing different electronic phases and revealing a complex interplay between magnetism and superconductivity tuned by applied pressure in FeSe$_{1-x}$S$_{x}$.
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All authors Z. Zajicek, I. Paulescu, P. Reiss, R. M. Abedin, K. Sun, S. J. Singh, A. A. Haghighirad, A. I. Coldea

Tuesday 23 December

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

New RVE concept and FFT methods in micromechanics of composites subjected to body force with compact support

We consider static linear elastic composite materials (CMs) with periodic structure. The core of the proposed methodology is the generation of a novel dataset using specially designed body force fields with compact support (BFCS), enabling a new RVE concept that reduces the infinite periodic medium to a finite domain without boundary artifacts. This functionally reduced RVE is used for translated averaging of direct numerical simulations (DNS) results, efficiently computed via a newly developed FFT-based solver for BFCS loading. The resulting dataset captures localized field responses and is used to train machine learning (ML) and neural networks (NN) models to learn effective nonlocal surrogate operators. These operators accurately predict macroscopic responses while reflecting microstructural features and nonlocal interactions. By accounting for field localization while simultaneously eliminating influences from finite sample size and boundary effects, it provides a physically grounded and data-driven framework for constructing accurate surrogate models for the homogenization of complex materials.
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Materials Science

Interfacial Charge Transfer and Electronic Structure Modulation in Ultrathin Graphene P3HT Hybrid Heterostructures

Ultrathin polymer-graphene heterostructures are promising materials for next generation optoelectronic and photovoltaic technologies, while the influence of the polymer's structural variation on interfacial charge transfer remains unclear. Here, using ab initio quantum mechanical calculations we show how different forms of Poly(3-hexylthiophene) (P3HT), a widely used organic semiconductor, interact with graphene. We analyze the effects of molecular chain length, end-group termination, periodicity, and the distinction between ordered and random P3HT arrangements. For isolated P3HT, the band gap decreases with increasing chain length and layer thickness, while structural disorder leads to slightly larger gaps due to reduced electronic coupling. When P3HT is deposited on graphene, all configurations exhibit spontaneous charge transfer, with electrons accumulating on graphene and holes remaining in the polymer. This effect is significantly enhanced in ordered and fully periodic structures and is noticeably weaker in disordered ones. Charge density analyses further show that thicker and more ordered P3HT layers improve electron hole separation across the interface. Our results reveal how molecular structure governs charge transfer in P3HT-graphene heterojunctions and provide practical guidelines for designing high efficiency polymer-graphene photovoltaic devices.
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Soft Condensed Matter · Cross-listed from physics.flu-dyn

Droplet Breakup Against an Isolated Obstacle

We describe combined experiments and simulations of droplet breakup during flow-driven interactions with a circular obstacle in a quasi-two-dimensional microfluidic chamber. Due to a lack of in-plane confinement, the droplets can also slip past the obstacle without breaking. Droplets are more likely to break when they have a higher flow velocity, larger size (relative to the obstacle radius R), smaller surface tension, and for head-on collisions with the obstacle. We also observe that droplet-obstacle collisions are more likely to result in breakup when the height of the sample chamber is increased. We define a nondimensional breakup number Bk ~ Ca, where Ca is the Capillary number, that accounts for changes in the likelihood of droplet break up with variations in these parameters. As Bk increases, we find in both experiments and discrete element method (DEM) simulations of the deformable particle model that the behavior changes from droplets never breaking (Bk << 1) to always breaking for Bk >> 1, with a rapid change in the probability of droplet breakup near Bk = 1. We also find that Bk ~ S^(4/3), where S characterizes the symmetry of the collision, which implies that the minimum symmetry required for breakup is controlled by a characteristic distance h ~ R.
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All authors David J. Meer, Shivnag Sista, Mark D. Shattuck, Corey S. O'Hern, Eric R. Weeks

Strongly Correlated Electrons

Magnetism and Correlated Electrons in LaCr$_2$Ge$_2$N

We report the synthesis, structure and physical properties of a new quaternary nitride LaCr$_2$Ge$_2$N. The compound crystallizes in the CeCr$_2$Si$_2$C-type structure (P4/mmm), featuring distinctive Cr$_2$N square sheets within Cr$_2$Ge$_2$N block layers. Physical characterizations reveal enhanced electron correlations evidenced by a Sommerfeld coefficient substantially larger than band calculations and pressure-induced deviation from Fermi-liquid behavior. Magnetic measurements show short-range antiferromagnetic correlations developing around 460 K, followed by long-range magnetic ordering at 14 K. Additionally, subtle anomalies at 378 K suggest possible electronic ordering. First-principles calculations reveal nearly-flat Cr-3d bands near the Fermi level and predict a striped antiferromagnetic ground state. This work demonstrates how electron count variation in the CeCr$_2$Si$_2$C-type structure family leads to magnetic ordering in LaCr$_2$Ge$_2$N, contrasting with the paramagnetic behavior of LnCr$_2$Si$_2$C compounds.
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All authors Jiao-Jiao Meng, Yu-Sen Xiao, Gen Li, Shao-Hua Liu, Bai-Zhuo Li, Hao Jiang, Zhen Yu, Yi-Qiang Lin, Xin-Yu Zhao, Qing-Chen Duan, Wu-Zhang Yang, Chong-Yao Zhao, Zhi Ren, Yu-Xue Mei, Yong-Liang Chen, Rui-Dan Zhong, Qing-Xin Dong, Peng-Tao Yang, Shu-Gang Tan, Bo-Sen Wang, Huiqian Luo, Jin-Guang Cheng, Xue Ming, Cao Wang, Guang-Han Cao

Materials Science

Epitaxial growth and semiconductor properties of NiGa2O4 spinel for Ga2O3/NiO interfaces

Unintentionally formed interfacial layers are ubiquitous in semiconductor devices that operate at extreme conditions. However, these layers' structure and properties often remain unknown due to the thinness of these naturally formed interphases. Here, we report on the intentional epitaxial growth and semiconductor properties of NiGa2O4 spinel layers that form at Ga2O3/NiO interfaces used in high-power and high-temperature electronic devices. Cubic spinel NiGa2O4 films of 10-50 nm thicknesses and low surface roughness (~ 2 nm) were grown using pulsed laser deposition at a substrate temperatures in the 300-900 {\deg}C range on {\alpha}-Al2O3 and {\beta}-Ga2O3 substrates of different orientation. The optical absorption onset (3.6-3.9 eV) and thermal conductivity (4-9 W m-1 K-1) vary systematically with substrate temperature, consistent with theoretical predictions of varying Ni and Ga cation ordering on the spinel lattice. The valence band offset between NiGa2O4 and {\beta}-Ga2O3 is determined to be 1.8 eV. The NiGa2O4-based p-n heterojunction devices on Ga2O3 (001) substrates exhibit a rectification ratio of 10^8 (for +/-2V) and a turn-on voltage of 1.4 V, maintaining diode behavior up to 600 {\deg}C. These results highlight the potential of NiGa2O4 as a p-type interlayer in Ga2O3-based devices and shows a new approach to investigate such interfacial layers.
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All authors Kingsley Egbo, Emily M. Garrity, Shivashree Shivamade Gowda, Saman Zare, Ethan A. Scott, Glenn Teeter, Brooks Tellekamp, Vladan Stevanovic, Patrick E. Hopkins, Andriy Zakutayev, Nancy Haegel

Materials Science

Towards predictive atomistic simulations of SiC crystal growth

Simulations of SiC crystal growth using molecular dynamics (MD) have become popular in recent years. They, however, simulate very fast deposition rates, to reduce computational costs. Therefore, they are more akin to surface sputtering, leading to abnormal growth effects, including thick amorphous layers and large defect densities. A recently developed method, called the minimum energy atomic deposition (MEAD), tries to overcome this problem by depositing the atoms directly at the minimum energy positions, increasing the time scale. We apply the MEAD method to simulate SiC crystal growth on stepped C-terminated 4H substrates with 4{\deg} and 8{\deg} off-cut angle. We explore relevant calculations settings, such as amount of equilibration steps between depositions and influence of simulation cell sizes and bench mark different interatomic potentials. The carefully calibrated methodology is able to replicate the stable step-flow growth, which was so far not possible using conventional MD simulations. Furthermore, the simulated crystals are evaluated in terms of their dislocations, surface roughness and atom mobility. Our methodology paves the way for future high fidelity investigations of surface phenomena in crystal growth.
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All authors Alexander Reichmann, Zahra Rajabzadeh, Sebastian Hofer, René Hammer, Lorenz Romaner

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

Higher-Dimensional Information Lattice: Quantum State Characterization through Inclusion-Exclusion Local Information

Developing a local description of quantum information is a central problem in quantum many-body physics: the goal is to identify how correlations are organized across positions and scales without choosing specific observables. We introduce a higher-dimensional information lattice, an inclusion-exclusion construction that decomposes the von Neumann information of reduced density matrices into contributions labeled by subsystem position and scale. Above one dimension, overlapping subsystems can form loops, allowing information associated with one subsystem to be inferred nonlocally from the density matrices of others. The sign of the inclusion-exclusion information resolves such overlap redundancies in position and scale: positive values mark positions and scales with net information gain, while negative values occur where redundant contributions dominate new ones. We implement the construction in two dimensions and apply it to many-body ground states with distinct entanglement structures. For localized states, such as disordered-localized states or gapped ground states of local Hamiltonians, the local information decays exponentially along different directions, defining direction-dependent information length scales. In critical states with a Fermi surface, decay becomes algebraic, with dominant directions tied to the velocity of gapless modes. In the toric code, topological order manifests as a negative information value at the largest lattice scale, interpreted as global information redundancy between the smallest loop-enclosing overlapping subsystems. We also isolate the universal information carried by edge states and locate the signatures of non-Abelian fusion channels in position and scale. Our results establish the higher-dimensional information lattice as a framework for resolving universal correlation structures through the spatial and scale distribution of quantum information.
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All authors Ian Matthias Flór, Claudia Artiaco, Thomas Klein Kvorning, Jens H. Bardarson