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Physics Condensed Matter

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Monday 16 February

Mesoscale and Nanoscale Physics

Probing topological Floquet states in graphene with ultrafast terahertz scanning tunneling microscopy

Floquet control of band topology is a central theme in ultrafast quantum materials science. Established experimental probes of light-induced topological states include ultrafast transport and time- and angle-resolved photoemission spectroscopy, each with important strengths but also well-known limitations. Here we propose ultrafast terahertz scanning tunneling microscopy (THz-STM) as a real space energy-resolved probe of Floquet physics. We show that THz-STM enables direct local detection of bulk Floquet gaps and distinct Floquet edge state signatures. We derive a nonequilibrium Green's-function formalism for time-dependent tunneling that directly extends standard STM theory and provides an intuitive interpretation of rectified ultrafast tunneling currents. We apply the approach to bulk graphene and graphene nanoribbons of variable width. For the bulk, we show that THz-STM provides direct spectroscopic access to Floquet-induced gap openings, and we contrast pulsed pump-probe protocols with the continuous-wave Floquet steady-state limit. For finite ribbons, we demonstrate time- and space-resolved imaging of Floquet-induced topological edge states and identify the ribbon-width scale below which edge state protection breaks down. We further show how band structures of graphene nanoribbons and Floquet chiral edge modes can be reconstructed via Floquet quasiparticle interference. Finally we demonstrate that chiral impurities that break time-reversal symmetry induce characteristic spatial THz-STM signatures that can be used as a direct probe of Floquet edge state chirality.
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All authors Nils Jacobsen, Michael Schüler, Angel Rubio, Martin Wolf, Melanie Müller, Michael A. Sentef

Materials Science

Fast and accurate quasi-atom method for simultaneous atomistic and continuum simulation of solids

We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of different size, comprising composite medium. The parameters of interaction potential between the quasi-atoms are optimized to match elastic properties of the composite medium to those of the atomic one. The optimization method coincides conceptually with the online Machine Learning (ML) methods, making it computationally very efficient. Such an approach allows a straightforward application of standard software packages for molecular dynamics (MD), supplemented by the ML-based optimizer. The new method is applied to model systems with a simple, pairwise Lennard-Jones potential, as well with multi-body Tersoff potential, describing covalent bonds. Using LAMMPS software we simulate collision of particles of different size. Comparing simulation results, obtained by the novel method, with full-atomic simulations, we demonstrate its accuracy, validity and overwhelming superiority in computational speed. Furthermore, we compare our method with other hybrid methods, specifically, with the closest one – AtC (Atomic to Continuum) method. We demonstrate a significant superiority of our approach in computational speed and implementation convenience. Finally, we discuss a possible extension of the method for modeling other phenomena.
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All authors Artem Chuprov, Egor E. Nuzhin, Alexey A. Tsukanov, Nikolay V. Brilliantov

Disordered Systems and Neural Networks · Cross-listed from cs.GT

Thermal Min-Max Games: Unifying Bounded Rationality and Typical-Case Equilibrium

Strategic-form min-max game theory examines the existence, multiplicity, selection of equilibria, and the worst-case computational complexity under perfect rationality. However, in many applications, games are drawn from an ensemble, and players exhibit bounded rationality. We introduce thermal min-max games, a thermodynamic relaxation that unifies bounded and perfect rationality by assigning each player a temperature to regulate their rationality level. To analyze typical behavior in the large-strategy limit, we develop a nested replica framework for this relaxation. This theory provides tractable predictions for typical equilibrium values and mixed-strategy statistics as functions of rationality strength, strategy-count aspect ratio, and payoff randomness. Numerical experiments demonstrate that these asymptotic predictions accurately align with the equilibrium of finite games of moderate size.
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Materials Science

Unraveling the electronic structure of silicon vacancy centers in 4H-SiC

Point defects in silicon carbide (SiC), particularly the negatively-charged silicon vacancy ($\mathrm{V_{Si}^{-}}$) in 4H-SiC, are leading candidates for scalable quantum technologies due to their favorable spin-optical properties and compatibility with industrial semiconductor fabrication processes. Comprehensive knowledge of a defect's electronic structure is essential for interpreting spin-optical dynamics and for the reliable design and optimization of defect-based quantum devices. Despite extensive study, our knowledge of the electronic structure of $\mathrm{V_{Si}^{-}}$\ is limited since key excited-state manifolds have remained inaccessible to conventional steady-state spectroscopy. In this study, transient absorption spectroscopy is utilized to probe non-equilibrium electronic transitions of $\mathrm{V_{Si}^{-}}$\ and to uncover previously unobserved excited states. The first direct observation of the elusive V2' quartet transition is presented, with its broad spectral signature attributed to nonadiabatic vibronic coupling. Within the spin-doublet manifold, which is central to optically detected magnetic resonance (ODMR) but has remained unresolved spectroscopically, multiple optical transitions are identified. The complete electronic level structure in the relevant energy range is elucidated by combining polarization-resolved spectroscopy, group-theoretical analysis, quantum embedding calculations and first-principles optical lineshape modeling. Collectively, these results provide a microscopic understanding of the $\mathrm{V_{Si}^{-}}$\ electronic structure. Our approach also establishes a general framework for resolving and understanding complex excited-state manifolds in wide-bandgap color centers.
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All authors Ali Tayefeh Younesi, Minh Tuan Luu, Christopher Linderälv, Vytautas Žalandauskas, Marianne Etzelmüller Bathen, Nguyen Tien Son, Takeshi Ohshima, Gergő Thiering, Lukas Razinkovas, Ronald Ulbricht

Superconductivity

Radio-Frequency Gasket for Studies of Superconductivity in Diamond Anvil Cells

This work presents the development and testing of a novel radio-frequency (RF) gasket with a Lenz lens surface geometry for contactless measurements in diamond anvil cells (DACs). Conventional RF approaches, which fabricate the Lenz lens onto the diamond anvil itself, preclude the placement of electrical circuits. Our method overcomes this limitation by transferring the RF sensor to a composite Ta-based gasket. The sensor consists of single-turn microcoils that are formed by magnetron sputtering a gold film onto an insulating Ta$_2$O$_5$ layer. The Lenz lens topology is then patterned using focused ion beam etching. We validated this technique using polycrystalline Cu1234 and Bi2212 high-$\textit{T$_c$}$ superconductors at ambient and high pressures. The measurements consistently identified the superconducting transition temperature across carrier frequencies from 111 kHz to 200 MHz. This new gasket technique establishes a reliable and sensitive tool for contactless studies of superconductivity under high pressure.
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Strongly Correlated Electrons

Strongly correlated Josephson junction: proximity effect in the single-layer Hubbard model

We study the proximity effect in the Hubbard model coupled to BCS superconductors describing a single-layer strongly correlated electron system in a phase-biased Josephson junction. We find two distinct gapped solutions, one Mott-like insulating (M-phase) and one proximitized superconducting phase (S-phase), separated by first-order transition with hysteresis. In the M-phase the large correlation charge gap strongly suppresses the critical current, while the S-phase behaves as a $0$-junction, with a proximitized gap that closes for $\phi=\pi$ to yield a correlated metal. Phase bias and junction transparency can thus serve as tuning knobs to switch between conducting and insulating regimes. Working within the dynamical mean field theory using the numerical renormalization group as the impurity solver, we associate M- and S-phase solutions with the doublet and singlet fixed points of the underlying superconducting Anderson impurity problem. We obtain detailed insight into the spectral structure on all energy scales. In the M-phase, the self-energy has sub-gap resonances symmetrically located around the Fermi level resulting from the splitting of the ”mid-gap pole” found in Mott insulators; this structure accounts for phase insensitivity.
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Materials Science

Uniaxial strain tuned magnetism of the altermagnet candidate h-FeS

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.
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All 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

Mesoscale and Nanoscale Physics

Exact Multi-Valley Envelope Function Theory of Valley Splitting in Si/SiGe Nanostructures

Valley splitting in strained Si/SiGe quantum wells is a central parameter for silicon spin qubits and is commonly described with envelope-function and effective-mass theories. These models provide a computationally efficient continuum description and have been shown to agree well with atomistic approaches when the confinement potential is slowly varying on the lattice scale. In modern Si/SiGe heterostructures with atomically sharp interfaces and engineered Ge concentration profiles, however, the slowly varying potential approximation underlying conventional (local) envelope-function theory is challenged. We formulate an exact multi-valley envelope-function model by combining Burt-Foreman-type envelope-function theory, which does not rely on the assumption of a slowly varying potential, with a valley-sector decomposition of the Brillouin zone. This construction enforces band-limited envelopes, which satisfy a set of coupled integro-differential equations with a non-local potential energy operator. Using degenerate perturbation theory, we derive the intervalley coupling matrix element within this non-local model and prove that it is strictly invariant under global shifts of the confinement potential (choice of reference energy). We then show that the conventional local envelope model generically violates this invariance due to spectral leakage between valley sectors, leading to an unphysical energy-reference dependence of the intervalley coupling. The resulting ambiguity is quantified by numerical simulations of various engineered Si/SiGe heterostructures. Finally, we propose a simple spectrally filtered local approximation that restores the energy-reference invariance exactly and provides a good approximation to the exact non-local theory.
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All authors Lasse Ermoneit, Abel Thayil, Thomas Koprucki, Markus Kantner

Mesoscale and Nanoscale Physics

Spin qubit shuttling between coupled quantum dots with inhomogeneous Landé g-tensors

By utilizing the site-dependent spin quantization axis in semiconductor quantum dot (QD) arrays, shuttling-based spin qubit gates have become an appealing approach to realize scalable quantum computing due to the circumvention of using high-frequency driving fields. The emergence of a spin deviation from the local quantization axis of one residing QD is the prerequisite to implement the qubit gates. In this work, we study the non-adiabatic dynamics of a spin qubit shuttling between coupled QDs with inhomogeneous Landé g-tensors and a small magnetic field. The spin dynamics is analyzed through solving the time-dependent Schrödinger equation of the qubit under the effects of spin-orbit interaction and rapid ramping inter-dot detuning. The precondition, imposed on the ramping time and the tunnel-coupling strength, to ensure a high-fidelity inter-dot transfer is estimated. We then calculate the change in the spin orientation of a transferred qubit, and study the dependences of the spin deviation on the difference in the quantization axes of the two QDs, the tunnel-coupling strength, and the ramping time. We also demonstrate that the effect of multiple rounds of inter-dot bidirectional shuttling can be captured by an operator matrix, and evaluate the idling times required for realizing the single-qubit Pauli-X and Pauli-Y gates. Intriguingly, it is confirmed that a generalized Hadamard gate can be achieved through tuning the idling times.
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Strongly Correlated Electrons

Variational preparation and characterization of chiral spin liquids in quantum circuits

Quantum circuits have been shown to be a fertile ground for realizing long-range entangled phases of matter. While various quantum double models with non-chiral topological order have been theoretically investigated and experimentally implemented, the realization and characterization of chiral topological phases have remained less explored. Here we show that chiral topological phases in spin systems, i.e., chiral spin liquids, can be prepared in quantum circuits using the variational quantum eigensolver (VQE) framework. On top of the VQE ground state, signatures of the chiral topological order are revealed using the recently proposed tangent space excitation ansatz for quantum circuits. We show that, both topological ground state degeneracy and the chiral edge mode can be faithfully captured by this approach. We demonstrate our approach using the Kitaev honeycomb model, finding excellent agreement of low-energy excitation spectrum on quantum circuits with exact solution in all topological sectors. Further applying this approach to a non-exactly solvable chiral spin liquid model on square lattice, the results suggest this approach works well even when the topological sectors are not exactly known.
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Disordered Systems and Neural Networks

Antiferromagnetic Barkhausen noise induced by weak random-field disorder

This study numerically investigates magnetisation reversal processes driven by an external magnetic field in three-dimensional antiferromagnetic spin models with weak random field disorder. Considering an extremely weak disorder and low temperature, we observe a step-wise hysteresis loop and the appearance of short magnetisation bursts of a characteristic triangular shape; the number of bursts increases with disorder, indicative of Barkhausen-type noise. These phenomena are attributed to the simultaneous reversal at a given external field of segments composed of spins with identical neighbourhoods. A local random field orients one or more spin neighbours, resulting in small, ferromagnetic-like clusters distributed throughout the system. As disorder increases, these clusters may merge to form a labyrinthine structure within the antiferromagnetic background, facilitating brief avalanche propagation. The results demonstrate that, compared with familiar random-field ferromagnets, the observed antiferromagnetic Barkhausen noise and the related avalanche sequence have a profoundly different structure, organised into peaks associated with the transition between magnetisation plateaus. They exhibit prominent cyclical trends and disorder-dependent multifractal fluctuations, with the singularity spectrum quantifying the degree of disorder. The activity avalanches exhibit scale invariance resembling that recently found in experiments with disordered ferrimagnets and martensites, as well as in quantum Barkhausen noise, which are associated with active geometric regions rather than individual-spin dynamics. The observed scaling behaviour is interpreted in terms of self-organised critical dynamics.
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Strongly Correlated Electrons

The distinction of time-reversal-like degeneracy by electronic transport in a new compound

We report the discovery of a new compound, Ce$_3$MgBi$_5$, and reveal the hidden time-reversal-like degenerate states within it. Ce$_3$MgBi$_5$ is an antiferromagnet with the distorted kagome lattice of Ce atoms, in which several fractional magnetization plateaus emerge with the increase of magnetic field. At the 1/2 magnetization plateau, obvious hysteresis has been observed in the magnetoresistance and Hall resistivity during the rise and fall of the magnetic field. However, hysteresis vanishes in the corresponding measurements of magnetization, indicating the existence of degenerate states with the same net magnetization but different electronic transport properties. The degenerate states can be connected by the time-reversal-like operation. In addition, by comparing with HoAgGe, it is suggested that the special crystal structure in Ce$_3$MgBi$_5$ may have a shielding effect on the time-reversal-like operation, thereby affecting the distinction of degenerate states. Our work establishes Ce$_3$MgBi$_5$ as an example of utilizing electronic transport properties to identify and distinguish hidden symmetries in frustrated magnetic systems.
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All authors Yi-Yan Wang, Ping Su, Kai-Yuan Hu, Yi-Ran Li, Na Li, Ying Zhou, Dan-Dan Wu, Yan Sun, Qiu-Ju Li, Xia Zhao, Hui Liang, Xue-Feng Sun

Statistical Mechanics

The cost of speed: Time-optimal thermal control of trapped Brownian particles

A thermal analogue of the classical brachistochrone problem, which minimizes the connection time between two equilibrium states of harmonically confined Brownian particles, has recently been solved theoretically. Here we report its experimental realization using two optically trapped microparticles subjected to a bang-bang effective temperature protocol. Despite their distinct relaxation times, both degrees of freedom are steered to their respective equilibrium states simultaneously in a finite minimal time. We provide a complete time-resolved characterization of the nonequilibrium dynamics through the evolution of the position variances and the entropy production within the framework of stochastic thermodynamics, enabling a quantitative comparison with direct relaxation and a suboptimal protocol. In addition, we employ information-geometric tools – recently referred to as thermal kinematics – to track the system's path in state space with a single dynamical quantity. Our results show that faster equilibration requires a larger entropy production and an increased thermodynamic length, revealing a direct trade-off between temporal optimality and thermodynamic cost in multidimensional stochastic systems driven by a single intensive control parameter.
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All authors Miguel Ibanez, Antonio Patron-Castro, Antonio Lasanta, Carlos A. Plata, Antonio Prados, Raul A. Rica-Alarcon

Statistical Mechanics

A self-consistent criterion for the range of validity of weakly driven processes

One of the longstanding open questions in linear response theory concerns its true range of validity. Determining when the linear approximation can be trusted typically requires knowledge of second-order corrections, which are often difficult to compute explicitly. In this letter, I propose a self-consistent criterion for the validity of linear response, formulated in terms of a typical length scale that emerges from the fluctuation-response inequality within the theory itself. The result applies to classical open systems. I illustrate the criterion with explicit examples of Brownian particles in harmonic traps, and classical open systems presenting Kibble-Zurek mechanism. Finally, I discuss the physical meaning of this typical length, providing both thermodynamic and information-theoretic interpretations.
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Disordered Systems and Neural Networks · Cross-listed from quant-ph

Erratic Liouvillian Skin Localization and Subdiffusive Transport

Non-Hermitian systems with globally reciprocal couplings – such as the Hatano-Nelson model with stochastic imaginary gauge fields – avoid the conventional non-Hermitian skin effect, displaying erratic bulk localization while retaining ballistic transport. An open question is whether similar behavior arises when non-reciprocity originates at the Liouvillian level rather than from an effective non-Hermitian Hamiltonian obtained via post-selection. Here, a lattice model with globally reciprocal Liouvillian dynamics and locally asymmetric incoherent hopping is investigated, a disordered setting in which Liouvillian-specific effects have remained largely unexplored. While the steady state again shows disorder-dependent, erratic localization without boundary accumulation, {\color{black}excitations in the incoherent-hopping regime spread via Sinai-type subdiffusion, dramatically slower than ordinary diffusion in symmetric stochastic lattices.} {\color{black}This highlights that the genuinely distinct Liouvillian signature is the coexistence of global reciprocity with ultra-slow, disorder-induced subdiffusive transport, rather than the erratic localization itself.} {\color{black}These results reveal a fundamental distinction between globally reciprocal Hamiltonian and Liouvillian systems: in both cases the skin effect is suppressed, but only in Liouvillian dynamics erratic skin localization can coexist with subdiffusive transport
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Materials Science

Free-electron decoherence: Theory and applications

Electron microscopy relies on the spatial coherence of electron beams to generate atomic-scale images using interference and diffraction, which can be degraded by inelastic scattering processes that induce decoherence. Here, we present a theoretical study of decoherence arising from the electromagnetic interaction of free electrons with bulk materials and planar surfaces. We show that bulk plasmons dominate decoherence in Al and Au, while electronic excitations above the band gap, supplemented by weaker coupling to phononic and guided modes, are the primary channels in ionic insulators such as LiF. A thermal population of electromagnetic modes leads to a divergence in the energy-loss probability at low frequencies, which in turn produces a pronounced temperature dependence. We show that this effect can be exploited for nanoscale thermometry, predicting that optimized energy-filtered holography enables $\sim0.1\%$ changes in fringe visibility for physically viable temperature variations in metals. Through these results, we establish a unified theoretical framework to describe free-electron decoherence in the bulk and surfaces of arbitrary materials.
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Disordered Systems and Neural Networks · Cross-listed from quant-ph

Quantum cryptography compatible with noisy intermediate-scale quantum devices based on Parrondo dynamics in discrete-time quantum walks

Compatibility with noisy intermediate-scale quantum (NISQ) devices is crucial for the realistic implementation of quantum cryptographic protocols. We investigate a cryptographic scheme based on discrete-time quantum walks (DTQWs) on cyclic graphs that exploits Parrondo dynamics, wherein periodic evolution emerges from a deterministic sequence of individually chaotic coin operators. We construct an explicit quantum circuit realization tailored to NISQ architectures and analyze its performance through numerical simulations in Qiskit under both ideal and noisy conditions. Protocol performance is quantified using probability distributions, Hellinger fidelity, and total variation distance. To assess security at the circuit level, we model intercept-resend and man-in-the- middle attacks and evaluate the resulting quantum bit error rate. In the absence of adversarial intervention, the protocol enables reliable message recovery, whereas eavesdropping induces characteristic disturbances that disrupt the periodic reconstruction mechanism. We further examine hardware feasibility on contemporary NISQ processors, specifically ibm_torino, incorporating qubit connectivity and state-transfer constraints into the circuit design. Our analysis demonstrates that communication between spatially separated logical modules increases circuit depth via SWAP operations, leading to cumulative noise effects. By exploring hybrid state-transfer strategies, we show that qubit selection and connectivity play a decisive role in determining fidelity and overall protocol performance, highlighting hardware-dependent trade-offs in NISQ implementations.
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Mesoscale and Nanoscale Physics · Cross-listed from quant-ph

Boundary conditions for the Schrödinger equation in the numerical simulation of quantum systems

We study the problem of the boundary conditions in the numerical simulation of closed and open quantum systems, described by a Schrödinger equation. On one hand, we show that a closed quantum system is defined by local boundary conditions. On the other hand, we argue that, because of the uncertainty principle, no local boundary condition can be defined for open quantum systems. For this reason plane waves or wave packet trains cannot be simulated on a finite numerical lattice with the usual procedures. We suggest a method that avoids these difficulties by using only a small numerical lattice and maintains the correspondence with the physical picture, in which the incident and scattered waves may be infinitely extended.
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Materials Science

Data-Efficient Machine learning for Predicting Dopant Formation Energies in TiO$_2$ Monolayer

Machine learning models are increasingly applied in materials science, yet their predictive power is often constrained by data scarcity. Here, we show that accurate predictions can be achieved, even with a limited number of training examples, provided the dataset is compact and and grounded in physically relevant quantities. By combining density functional theory calculations with a machine-learning framework, we construct accurate descriptor-based models to predict the formation energies of doped lepidocrocite TiO$_2$ monolayers. The predictive accuracy of machine-learning models was first evaluated for single-dopant Pt configurations, demonstrating that the selected structural and chemical descriptors reliably capture the key factors governing dopant stability. Chemical transferability is then examined by extending the dataset to include Ag-doped configurations. Predictive accuracy improved systematically as additional Ag-doped data points were included in the training, while the performance of Pt remains robust. These results highlight the potential of small and well-curated datasets combined with physically informed descriptors to enable not only accurate but also chemically transferable machine-learning-driven screening in doped TiO$_2$ monolayer.
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All authors Kati Asikainen, Matti Alatalo, Marko Huttula, Assa Aravindh Sasikala Devi

Mesoscale and Nanoscale Physics

A scalable non-superconducting tunnel junction technology

Tunnel junctions are one of the key elements of chip-scale microsystems serving various technologies from classical microelectronics to quantum information. Aluminium and its oxide (AlOx) have dominated cryogenic tunnel junction technology for decades due to the high quality of AlOx barriers and Al superconducting properties below 1.2 K. However, many applications require non-superconducting junctions, either standalone or in combination with superconducting technology, motivating efforts to suppress Al superconductivity through magnetic fields, doping, or proximity effects – approaches that so far suffered from integration compatibility and scalability issues. Here, we present a CMOS-compatible normal-metal tunnel junction technology based on TiW alloy and AlOx barriers. We demonstrate wafer-scale fabrication of TiW/Al-AlOx/TiW junctions and validate their performance in Coulomb blockade thermometers operating down to 20 mK, confirming robust normal-state behavior. This TiW-based architecture offers a scalable solution for non-superconducting tunnel junctions across a broad temperature range, enabling integration into advanced cryogenic, quantum and nanoelectronic chip-level systems.
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All authors Juho Luomahaara, Kristupas Razas, Omid Sharifi Sedeh, Renan P. Loreto, Janne S. Lehtinen, Mingchi Xu, Armel A. Cotten, Aldo Tarascio, Peter Müller, Nikolai Yurttagül, Lassi Lehtisyrjä, Leif Grönberg, Christian P. Scheller, Jonathan R. Prance, Michael D. Thompson, Richard P. Haley, Mika Prunnila, Dominik M. Zumbühl

Materials Science · Cross-listed from quant-ph

On the challenge of simulating dipolar contributions to spin relaxation with generalized cluster correlation expansion methods

The study of spin decoherence is often performed by assuming that spin-phonon interactions lead to relaxation at high temperatures, and spin-spin dipolar interactions instead contribute to pure dephasing at low temperatures. This has resulted in the neglect of spin relaxation due to spin-spin dipolar interactions and its influence on decoherence at low temperatures. For a complete understanding of low temperature spin dynamics, it is then imperative to focus also on the latter mechanism. One such method which has shown great promise in the efficient calculation of central spin dynamics due to spin-spin dipolar interactions with a surrounding spin bath is the Cluster-Correlation Expansion (CCE). An extension of this method through the explicit inclusion of the central spin degrees of freedom, known as the generalized Cluster-Correlation Expansion (gCCE) is capable of simulating the transfer of energy from the central spin into the bath, and thus could have the potential to investigate spin relaxation in this setting. In this work, we show that gCCE, in its standard form, is insufficient for providing even a qualitatively accurate description of spin-spin relaxation. A full mathematical deconstruction of the underlying theory of gCCE clearly points to the origin of such a breakdown and provides a starting point for its potential future resolution.
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Materials Science

Why is the $d$-Wave spin splitting in CuF$_2$ bulk-like?

With the advent of nonrelativistic spin splitting in collinear compensated antiferromagnets, several candidate materials have also been proposed, among which the family of transition-metal difluorides stands out as a prominent example. Within this family, most members exhibit planar $d$-wave spin splitting, whereas CuF$_2$ shows bulk $d$-wave splitting with an explicit $k_z$ dependence. In this work, we show that this transition from planar to bulk $d$-wave splitting in CuF$_2$ is primarily driven by the antipolar displacements of the F ions, which are absent in the tetragonal rutile structure of the other family members. Our calculations reveal that these additional structural distortions introduce an extra plane of anisotropic magnetization density, giving rise to an additional totally symmetric component of the magnetic octupole tensor. The $k$-space representation of this octupole component, consequently, dictates an additional direction of spin splitting, thereby transforming the $d$-wave spin splitting pattern from planar to bulk-like. We further analyze the effect of spin-orbit coupling on the magnetic octupoles and the resulting spin splitting in the band structure. Our work highlights the possibility of controlling the pattern of nonrelativistic spin splitting through structural modifications, for example, via the application of external pressure.
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Materials Science

DFT and MLIP study of solute segregation to coherent and semi-coherent {\alpha}-Fe/Fe$_3$C interfaces

Solute segregation to interfaces significantly impacts material behavior. A large majority of theoretical works focus on grain boundaries and coherent interfaces. Studies on semi-coherent interfaces are usually prohibited by the structural complexity, yielding models beyond the practical capability of density functional theory (DFT), or chemical complexity, restricted by the availability of (classical) interatomic potentials. This work investigates solute segregation to the coherent and semi-coherent $\alpha$-Fe/Fe$_3$C interface in pearlite and its effect on mechanical properties using novel universal machine learning interatomic potentials (uMLIPs). DFT calculated solution enthalpies, segregation energetics, and changes in cohesion at the coherent interface are used to benchmark several state-of-the-art uMLIPs. We find that the GRACE-2L-OAM and GRACE-2L-OMAT models most accurately reproduce the quantum-mechanical predictions. While Cu has the strongest segregation energy of $\approx$ -0.3 eV to the coherent interface among the investigated tramp and trace elements, all of them, As, Cr, Cu, Mo, Ni, P, Sb, and Sn, exhibit significantly more negative segregation values reaching below $\approx$ -1.5 eV in the presence of the misfit dislocation at the semi-coherent interface. The deepest traps are identified in the vicinity of the dislocation core, although the spatial distribution of segregation energies differs markedly among the solute species. The cohesion of the coherent interface is strongly reduced by Sb, Sn, P, and As, and only mildly by Cu, whereas Ni shows a negligible effect, and Cr and Mo slightly enhance cohesion. In contrast, all investigated solutes (except for P) tend to embrittle the semi-coherent interface, with Sn and, especially, Sb having the strongest impact in tensile tests performed in the out-of-plane direction. Abstract shortened for ArXiv.
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Strongly Correlated Electrons

Non-commutative Dynamic Approaches to the Kibble-Zurek Scaling Limit with an Initial Gapless Order

Nonequilibrium many-body physics is one of the core problems in modern physics, while the dynamical scaling from a gapless phase to the critical point is a most important challenge with very few knowledge so far. In the driven dynamics with a tuning rate $R$ across the quantum critical point (QCP) of a system with size $L$, the finite-time scaling shows that the square of the order parameter $m^2$ obeys a simple scaling relation $m^2\propto R^{2\beta/\nu r}$ in the Kibble-Zurek (KZ) scaling limit with $RL^r\gg1$. Here, by studying the driven critical dynamics from a gapless ordered phase in the bilayer Heisenberg model, we unveil that the approaches to the scaling region dominated by the KZ scaling limit with $RL^r\gg1$ are non-commutative: this scaling region is inaccessible for large $R$ and finite medium $L$, while merely accessible for large $L$ and moderately finite $R$. We attribute this to the memory effect induced by the finite-size correction in the gapless ordered phase. This non-commutative property makes $m^2$ still strongly depends on the system size and deviates from $m^2\propto R^{2\beta/\nu r}$ even for large $R$. We further show that a similar correction applies to the imaginary-time relaxation dynamics. Our results establish an essential extension of nonequilibrium scaling theory with a gapless ordered initial state.
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All authors Zhe Wang, Chengxiang Ding, Dongxu Liu, Fuxiang Li, Zheng Yan, Shuai Yin

Materials Science

Compositional Metrology of Atom Probe Applied to non-Metallic Materials

Laser-assisted Atom Probe Tomography (LA-APT) has demonstrated a unique potential for the study of the 3D distribution of atomic species in semiconductor materials and devices, and in a growing list of inorganic non-metallic solids. A crucial and often underestimated issue with APT is its accuracy in compositional measurements of non-metallic systems. This work introduces the principles of APT as an experimental technique, recalling the aspects potentially leading to compositional biases and underlining in particular the role of the surface electric field in governing the different physical-chemical phenomena that enable the measurement. It reviews the possible mechanisms of specific losses, as well as the methods for assessing a compositional bias and proposing possible correction methods. Finally, it establishes a state of the art on compositional biases in APT of non-metallic materials, on the basis of which it will be possible to conclude on specific recommendations for best practices, and the perspective of application of APT to new materials.
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Strongly Correlated Electrons

Magnetic excitations in the Kitaev material Na$_2$IrO$_3$ studied by neutron scattering

Inelastic neutron scattering experiments with a large set of comounted Na$_2$IrO$_3$ crystals reveal the low-energy magnon dispersion in this candidate material for Kitaev physics. The magnon gap amounts to 1.7(1) meV and can be interpreted similarly to the sister compound $\alpha$-RuCl$_{3}$ to stem from the zone boundaries in the antiferromagnetic zigzag structure. The neutron experiments find no evidence for low-energy excitations with ferromagnetic character, which contrasts to the findings in $\alpha$-RuCl$_{3}$. Our results are consistent with a recently proposed microscopic model that involves an antiferromagnetic Heisenberg nearest-neighbor exchange in Na$_2$IrO$_3$ in contrast to the ferromagnetic one considered for $\alpha$-RuCl$_{3}$. Although the magnetic response shows the signatures of bond-directional anisotropy in both materials the different relative signs of Kitaev and Heisenberg interaction result in different deviations from the initial Kitaev model. Low-energy ferromagnetic fluctuations cannot be considered as a fingerprint of ferromagnetic Kitaev interaction.
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All authors Alexandre Bertin, Hengdi Zhao, Gang Cao, Andrea Piovano, Paul Steffens, Alexandre Ivanov, Markus Braden

Quantum Gases · Cross-listed from quant-ph

Dissipative Spectroscopy

We introduce dissipative spectroscopy as a framework for extracting spectral information from quantum systems via controlled dissipation. By establishing a general dissipative response theory applicable to both Markovian and non-Markovian environments, we develop a protocol to access the dissipative spectrum (DS) through driven oscillation-dissipation resonance. We show that the DS can identify two-particle soft modes near quantum critical points and, on the normal-phase side, predict the emergence of macroscopic order exhibiting power-law growth following a dissipation quench. These distinctive signatures appear in quasiparticle-dominant regimes, previously considered trivial. Furthermore, we introduce extended dissipative susceptibilities that capture leading memory effects and demonstrate their utility in a dissipative fermionic model. Our results indicate that the DS is readily accessible and offers a versatile tool for probing equilibrium properties as well as predicting nonequilibrium dissipative dynamics.
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Quantum Gases

Realization of a Synthetic Hall Torus with a Topological Charge Pump in a Spinor Bose-Einstein Condensate

We report the first experimental realization of a synthetic Hall torus using a spinor Bose-Einstein condensate confined in a ring-shaped trap with in situ imaging. By cyclically coupling three hyperfine spin states via Raman and microwave fields, we impose a periodic boundary condition in the synthetic dimension, which, together with a real-space ring trap, realizes a toroidal geometry with synthetic magnetic flux penetrating the surface. This flux induces azimuthal density modulations whose periodicity is uniquely determined by the quantized toroidal flux, a hallmark of the Hall torus. We then implement a topological charge pump by adiabatically varying an axial flux through the torus, inducing quantized azimuthal transport of the atoms. We further investigate the onset of these modulations as the system transitions from cylindrical to toroidal topology. Our results establish a versatile platform for exploring quantum Hall physics and topological phenomena in synthetic curved spaces.
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All authors T.-H. Chien, S.-C. Wu, Y.-H. Su, L.-R. Liu, N.-C. Chiu, M. Sarkar, Q. Zhou, Y.-J. Lin

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

Potential Energy Curves of Hydrogenic Halides HX(F,Cl,Br) and i-DMFT Method

A comparison of the ab initio calculations using the i-DMFT Method by Di Liu et al. (2025) with benchmark potential curves for three HX(F,Cl,Br) halides shows their inaccuracy in the domain around equilibrium - they do not reproduce quantitatively the results of the Born-Oppenheimer approximation - and also they predict a qualitatively wrong behavior in the Van der Waals region of large distances, thus, contradict the multipole expansion.
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Mesoscale and Nanoscale Physics

Quantifying Strain and its Effect on Charge Transport in Ge/Si Core/Shell Nanowires

Strain engineering in semiconductor nanostructures offers a promising route to optimize electronic and optical properties for advanced quantum technologies. This study explores the relationship between core and shell thicknesses and strain distribution in Ge/Si core/shell nanowires, targeting their application as hosts for spin qubits. Nanowires were synthesized using an Au-catalyzed chemical vapor deposition technique, achieving control over core and shell dimensions. High-resolution transmission electron microscopy and elemental mapping confirmed structural integrity, while Geometric Phase Analysis and Raman spectroscopy provided quantitative insights into strain variations driven by core and shell dimensions. Furthermore, polarization resolved $\mu$-Raman measurements allowed us to quantify the longitudinal and transverse phonon mode splitting as a function of strain in the Ge core. The strain dependent electronic properties were investigated by hole mobility measurements. Finally, we observe a record high hole mobility of 25,500 cm$^2$V$^{-1}$s$^{-1}$, underscoring the potential of these core/shell nanowire structures for the realization of high-fidelity spin qubits. Our findings highlight the critical role of geometry in strain tuning and provide valuable design guidelines for optimizing Ge/Si nanowires in scalable quantum device architectures.
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All authors Aswathi K. Sivan, Nicolas Forrer, Aakash Shandilya, Yang Liu, Janica Böhler, Alexander Vogel, Arianna Nigro, Pierre Chevalier Kwon, Artemii Efimov, Ilya Golokolenov, Gerard Gadea, Riccardo Rurali, Andreas Baumgartner, Dominik M. Zumbühl, Ilaria Zardo