Papers

We analyze the criticality of an Ising Gross-Neveu-Yukawa (GNY) theory of $N_\psi$ Dirac fermion valleys with intra- and inter-valley interactions, using a renormalization-group analysis in $4-\epsilon$ space-time dimensions to one-loop order. The conventional GNY fixed point of decoupled valleys is unstable against inter-valley fluctuations which are naturally present if the symmetry breaking is driven by short-ranged interactions. At the new fixed point, the critical exponents differ from the conventional GNY universality. Most importantly, Lorentz invariance is broken due to interference effects resulting from the relative rotation between valley coordinate frames. In the limit of large $N_\psi$ the critical fixed point with finite inter-valley coupling remains stable but Lorentz invariance is asymptotically restored.

Dielectric multilayer mirrors are essential components in optical experiments using high-power lasers, where titanium dioxide (TiO$_2$) is widely employed as a high-refractive-index dielectric material. In this study, we investigate the nonlinear optical response of TiO$_2$ under intense ultrashort laser pulses using real-time first-principles electron-dynamics simulations based on time-dependent density functional theory (TDDFT). We reveal intensity-dependent absorption driven by multiphoton excitation and optically excited free carriers, and simulate the resulting electron-light coupled dynamics in TiO$_2$ nanofilms using a multiscale Maxwell-TDDFT framework. Direct evaluation of the reflected and transmitted fields shows reduced reflectance at high intensities ($I \sim 10^{13}$ W/cm$^2$), demonstrating a pronounced nonlinear optical response. Furthermore, the optical response properties are compared among various stable and metastable crystalline phases of TiO$_2$-rutile, anatase, brookite, TiO$_2$-II, and TiO$_2$-B-as well as an amorphous supercell model. These results provide microscopic insight into intensity-dependent optical degradation in TiO$_2$-based dielectric optical components exposed to intense femtosecond laser fields.

Contractile cells and external loads reorganize the fibrous extracellular matrix, aligning and compacting fibers over distances far exceeding a cell's size, strongly affecting bioprocesses such as wound healing, angiogenesis and tumor invasion. We develop a continuum micromechanical theory that links, at every material point, the load-induced orientational order to the mechanical response that the reoriented network then exhibits. The network is described statistically, by the probability density of fiber orientations, and deforms affinely, so that a single-fiber stress-strain law is carried into the network stress, with the deformation set self-consistently by mechanical equilibrium. Critical to realistic biological relevant conditions, this theory allows both geometrical and material nonlinearities. Applied to a two-dimensional network under uniaxial stretch, the theory collapses onto a single anisotropy parameter that governs the orientation distribution, the nematic order, the Poisson ratio, and the densification of fibers. Our theory reveals that induced order and densification are highly positively correlated, and in the case of uniaxial stretch they collapse onto a nearly universal curve, independent of the single-fiber stiffness behavior. For a contracting cell, we find that buckling controls how far nematic orientational order and densification propagate. We find an algebraic decay of deformations with distance and solve for the dependence of the power-law exponent on the buckled-reduced stiffness of a single fiber. We validate our theory by comparison with non-affine discrete fiber-network simulations.

In recent years, all-optical writing and switching of valley polarization in two-dimensional semiconductors has been demonstrated on femtosecond timescales. Reading this polarization out on the same timescale, carrier by carrier, has so far remained out of reach. Employing semiconductor Bloch equation simulations of monolayer MoS$_2$, we show that attosecond transient absorption closes this gap by turning the Mo $4p$ semicore edge into a quantitative valley polarimeter. We find that pump-enabled core-to-valence absorption probes the holes while core-to-conduction bleaching probes the electrons, so that a single spectrum identifies each carrier by its photoabsorption energy. The hole channel, Pauli-blocked in equilibrium, emerges background-free. Its circular dichroism reverses sign with the pump helicity, and its normalized magnitude is proportional to the valley polarization. Finally, we show that scanning the probe delay clocks the few-femtosecond write in real time. Thus, attosecond core-level dichroism is a carrier-sensitive, quantitative probe of the creation and evolution of valley polarization.

Conformal invariance is expected to be an emergent property of many systems in their critical regime. However, approximation schemes generically spoil this property. This is in particular the case of the derivative expansion, a widely used approximation scheme in the framework of the functional renormalization group. In this article, we consider Ward identities associated with conformal invariance in the 3-d Ising universality class with truncations at order 4 (next-to-next-to-leading order) in the derivative expansion, with $Z_2$ invariant composite operators. Our results confirm that the regulating functions which yield a small breaking of conformal invariance also present a small sensitivity of the universal critical exponents with the choice of this regulating function. We also show that, in the vicinity of regulator-parameter values for which the conformal constraints are best satisfied, the breaking of conformal invariance reduces as the order of the derivative expansion is increased, providing a new indication of the convergence of this approximation scheme.

The Weyl semimetal $\gamma$-PtBi$_2$ has been shown to be one of the most promising novel materials, recently proposed as a topological i-wave superconductor. A crucial requirement for observing this physics is the absence of inversion symmetry in its trigonal $P31m$ crystal structure. Centrosymmetry has been reported to be readily restored in the $P\overline{3}m1$ structure upon electron doping, partially substituting Bi with as little as 2% Te. In this work, we synthesized Te-doped PtBi$_{2-x}$Te$_{x}$ samples and thoroughly investigated the bulk superconductivity of selected single crystals with nominal composition PtBi$_{1.96}$Te$_{0.04}$, exhibiting the highest superconducting volume fraction of $\sim100$%. Single crystal XRD measurements confirm the centrosymmetric $P\overline{3}m1$ structure in our samples, whereas bulk superconductivity with a critical temperature of $T_\mathrm{c} \approx 2.4\,$K was observed in magnetization and specific heat measurements. The upper critical fields for two different orientations were determined as $H^{\parallel}_{\mathrm{c2}}(0)\approx 6.3\,$kOe for in-plane and $H^{\perp}_{\mathrm{c2}}(0)\approx 4.7\,$kOe for out-of-plane magnetic fields. Robust superconductivity was also found in resistance and point contact measurements, where the latter showed a slight enhancement of the critical temperature up to $T_\mathrm{c} \sim 3\,$K. Finally, ARPES measurements corroborate the centrosymmetric structure of our samples, showing a single surface termination and the absence of Fermi arcs.

We explore the cationic intercalation of tungsten ditelluride (WTe2) with potassium (K), rubidium (Rb), and cesium (Cs), yielding intercalation compounds of the form A0.5WTe2 (A = K, Rb, Cs). Structural characterization was performed using powder X-ray diffraction (PXRD), while diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy and temperature-dependent conductivity measurements were employed to investigate the electronic properties. Density functional theory (DFT) calculations were carried out to support the experimental findings and to provide insight into the intercalation mechanisms and the resulting material characteristics. All synthesized compounds display semiconducting behavior with narrow band gaps, emphasizing the influence of alkali metal intercalation on the electronic structure and transport properties of WTe2. These results advance the fundamental understanding of property modulation in transition-metal dichalcogenides (TMDCs) and highlight their potential for electronic device applications.

The quasi-2D magnet Na2Co2TeO6 (NCTO) is a candidate for a Kitaev Quantum Spin Liquid (KQSL) state. Pressure-tuning in such materials is of interest as a potential method to tune the Kitaev exchange interactions, which are strongly dependent on bond geometry. Here we report a Raman spectroscopic study of NCTO inside a diamond anvil cell (DAC) with pressure applied up to 16.3 GPa. Based on the changes in the Raman modes, this pressure range is divided into three regions. The appearance and disappearance of several modes and changes in the polarization dependence of the representative modes, most prominently above 13.8 GPa, point to pressure-induced phase transitions in this material.

Optimal control helps guide our understanding of stochastic thermodynamics, leading to universal properties and geometric formulations. Among the initially surprising properties of optimal control, not only discrete jumps but delta function kicks have been shown to be necessary to minimize dissipation in specific example systems. Using a short-time approximation, I show that delta-function kicks are universally optimal for minimizing dissipation in inertial stochastic systems, including active and quantum dynamics under general constraints. Fundamentally stemming from basic kinematics, delta-function kicks are required to achieve linear scaling of work with short protocol durations compared to the quadratic scaling without the kicks. This implies a diverging (infinite) ratio of saved work in the short-time limit.

We used simulations of short single stranded DNA (ssDNA) homopolymers, based on the sequence dependent Three Interaction Site (TIS) model, to calculate the persistence length ($l_p$) in polyvalent cations. The TIS model accounts for stacking interactions and electrostatic interactions are treated using the Coulomb potential. We find that $l_p$ for $\mathrm{dT_{30}}$ (T is thymine) and $\mathrm{dA_{30}}$ (A is adenine) is quantitatively fit using $l_p = l_p^0 + \lambda \kappa^{-1}$ ($l_p^0$ is the bare persistence length, $\lambda$ is a dimensionless constant, and $\kappa$ is the inverse Debye length) in the divalent cations $\mathrm{Mg^{2+}}$ and $\mathrm{Ca^{2+}}$. The dependence of $l_p$ on $\kappa$ is surprising because it was derived for long flexible polyelectrolytes in which the charges interact via the Debye-Hückel potential. The $l_p^0$ values are 0.4 nm and 1.1 nm for polyT and polyA, respectively. Strikingly, $l_p$ is almost independent of the tetravalent spermine concentration. There is no clear theoretical explanation although simulations suggest that the number of spermine molecules that bind to the ssDNA saturates at a small value. A qualitative picture, based on the restrictions of access to the phosphate groups due to volume exclusion of the anisotropic structure of $\mathrm{Spm^{4+}}$, rationalizes the simulation results. The predicted dependence of $l_p$ in spermine awaits experimental test.

Competing and coupled spin and charge interactions in quantum materials lead to a variety of ordered states where local configurations preferentially influence the long-range order. When these interactions are finely balanced in energy, disorder and fluctuations play an outsized role. Raman scattering is particularly well-suited to revealing the underlying physics in such situations because of its sensitivity to local environments and ability to reveal overall symmetries. We perform angle-resolved Raman polarization measurements on single crystals of the correlated, layered magnet, \ce{Sr2IrO4}, where the Mott insulating ground state arises from strong spin-orbit coupling. We characterize the symmetries of both the phonon and magnon modes through comprehensive measurements in both the $ab$-plane and out-of-plane geometries from 10 to 700 cm$^{-1}$, and trace the evolution of these modes in both configurations to 12 GPa in a diamond anvil cell with perforated diamonds. Pressure does not significantly alter the lattice as the phonon modes shift linearly under compression, but at the same time the magnon modes become position dependent and spread over a range of wavenumbers. We attribute this magnetic heterogeneity to pressure-enhanced variations in the weak interlayer interactions, which may locally favor competing magnetic stacking configurations, and compare our experimental results to the predictions of linear spin wave calculations. Our results demonstrate that Raman-active magnons amplify $\mu$eV-scale interactions responsible for ground-state selection into easily measurable spectral changes.

The entropy production rate (EPR) quantifies irreversibility of a nonequilibrium steady state, yet standard formulas obscure how a complex interaction network generates it. For multivariate Ornstein-Uhlenbeck dynamics on such networks, we express the EPR as a quadratic form in antisymmetric matrices measuring the nonreciprocity of aggregate directed walks at every length, and, equivalently, as two weighted-walk quantities: pairs of directed walks sharing both endpoints, and directed closed walks. For diagonalizable interactions, an exact correspondence translates these walk quantities into eigenvalues and biorthogonal eigenvector overlaps. Across dense, sparse, and deep acyclic random interactions satisfying matched-walk conditions, the mean EPR per node universally follows the square-root law $\phi_*(g)=1-\sqrt{1-g^2}$, where $g \in [0,1)$ parametrizes the interaction strength. Deep acyclic interaction matrices are nilpotent, with all eigenvalues fixed at zero for every $g$, yet, as their depth increases, their mean EPR per node approaches $\phi_*(g)$. Thus, the square-root law arises from directed walk properties, rather than from a shared spectral density or specific network topology.

Geometry of quantum states is a fundamental research area with applications ranging from topological materials in condensed matter to variational algorithms in quantum information. Due to their relative simplicity, pure states are often studied, while mixed states are generally needed, for instance to have nonzero temperatures or other statistical mixtures. Mixed-state geometry, however, is much more challenging and has so far lacked any overall structure that relates distance and curvature, like the Kähler structure does for pure states. This work introduces that missing structure. We show that it has the physical meaning of fluctuation-dissipation—by identifying distance with fluctuations and curvature with linear response—and becomes the known structure for pure states, but is non-Kähler otherwise. This paints a simple picture that unifies fluctuation-dissipation and geometry of quantum states. It also applies on parameter spaces, as encountered in condensed matter or estimation theory. Our picture implies that the geometry contains all linear responses and fluctuations, proves the usual fluctuation-dissipation relation, explains that quantum geometry is present in any sum rule, and allows one to geometrically characterize generic transport behaviors.

When a plane polarized Gaussian beam of light is incident on a surface, upon reflection it splits into right and left circularly polarized beams that are spatially separated in the direction perpendicular to the plane of incidence. This is known as the photonic spin-Hall effect (PSHE). In this work, we show that the centroid shift, which is the intensity weighted average of the shifts of the right and the left circularly polarized beams directly probes the optical Hall conductivity, which carries the essential information about the topological properties of the system. We show that the centroid shift as a function of the frequency of light has a unique sign structure depending on whether the system is in a time-reversal symmetry broken band topological phase or a trivial phase. Thus, the PSHE may serve as an unambiguous and a non-invasive probe to detect time-reversal symmetry broken band topological phases.

Despite being arguably the simplest and best characterized quasi-2D charge-density-wave (CDW) systems, the rare-earth tritellurides ($R$Te$_3$) continue to yield surprising experimental results, including recent evidence suggestive of mirror-symmetry breaking associated with the onset of CDW order. Motivated by this, we consider a 2D electron-phonon model for a single Te square-net plane, which we analyze using mean-field theory. For an appropriate region of parameter space, we find a finite-temperature continuous transition from the normal state to a unidirectional CDW state with an ordering vector matching that observed experimentally. At lower temperatures, we find a second translation-symmetry-breaking transition, similar to what occurs in $R$Te$_3$ compounds with heavier rare-earth elements. In certain parameter regimes, we also find an intervening mirror-symmetry-breaking transition occurring between the two transitions described above. These results reveal an intrinsic susceptibility to mirror-symmetry breaking in the unidirectional CDW phase, which is relevant to understanding recent experiments on the $R$Te$_3$ compounds.

We experimentally investigate how symmetry-protected topological order in a one-dimensional cluster state is transformed by measurement and decoherence in a five-qubit superconducting array. We first characterize the state's nonlocal string order and show that controlled dephasing selectively suppresses one symmetry sector while leaving the other robust, consistent with average symmetry-protected topological order. We then measure one sublattice in a tunable basis and show that the remaining qubits are driven between a long-range-entangled GHZ state and a paramagnetic state. When the measurement record is discarded, the conventional long-range correlator vanishes while a nonlinear fidelity correlator remains finite, providing a finite-size signature of strong-to-weak spontaneous symmetry breaking. These experiments demonstrate how conditioning, averaging, and decoherence reveal distinct manifestations of order encoded in the same underlying cluster state, and establish a superconducting-circuit setting for probing mixed-state symmetry and topology.

We predict and classify interaction-driven quantum spin Hall crystals (QSHCs), a class of states emerging at fractional filling through an interplay of topology and spontaneous translation-symmetry breaking. QSHCs form nearly degenerate manifolds whose members can realize distinct topological phases protected by time-reversal or valley $U(1)_v$ symmetry, with time-reversal acting nontrivially within the manifold. As a representative of this broad class of states we provide evidence for 9-fold quasi-degenerate $\sqrt{3}\times\sqrt{3}$ charge ordered QSHCs at $\nu = -8/3$ of twisted bilayer MoTe$_2$ near a $5^\circ$ twist. Here a $\mathbb{Z}_3$ index organizes states related by lattice translation into three time-reversal invariant states with nontrivial $\mathbb{Z}_2$ topology and three time-reversal related doublets whose individual members spontaneously break time-reversal and carry a $U(1)_v$ protected spin-Chern number. Finally, we determine the conditions that favor QSHCs over closely competing intervalley-coherent crystals.

A magnetic field applied perpendicular to the helical axis of a monoaxial chiral helimagnet compresses the spin helix into a coplanar chiral soliton lattice (CSL). We show that optically driven high-harmonic generation from itinerant electrons coupled to a frozen CSL resolves the lattice-scale structure of the localized twist, rather than the continuum soliton shape. High-order harmonics remain perturbative for the uniform helix. As the winding localizes at fixed magnetic period, they grow by many orders of magnitude and acquire a nonperturbative dependence on the drive amplitude. The growth originates from a spatially nonuniform effective hopping that turns each soliton into a localized dip in the hopping amplitude. When the degree of winding localization is held fixed, high-order intensities fall by many orders of magnitude as the magnetic period increases toward the continuum limit, where the hopping modulation is spatially smoothed. High-order harmonics thus resolve a real-space characteristic of the coplanar CSL, even in the absence of scalar chirality and an emergent magnetic field.

The Johnson-Nyquist theory is commonly implemented by representing a conductor as a collection of independent local thermal-noise sources whose strength is determined by the local temperature. Whether this local-noise representation remains valid for electrically coupled conductors maintained at different temperatures has received comparatively little attention. We investigate this question by means of microscopic two-dimensional simulations of interacting charge carriers in conducting wires capacitively coupled. The model reproduces Ohm's law, the equilibrium Johnson noise, and vanishing correlations between detached wire segments when both wires are at the same temperature. However, when the wires are held at different temperatures, finite correlations develop between the electromotive forces generated in distant segments, leading to systematic deviations of the Johnson temperature inferred from the local-noise picture. The effect persists although the microscopic particle interactions are short-ranged and the two wires interact only through the capacitive coupling. These results suggest that the independent-local-source representation of thermal noise may not remain valid in electrically coupled nonequilibrium conductors.

Electromagnetic fluctuations can transfer not only energy but also angular momentum, leading to forces, torques, heat currents, and friction in out-of-equilibrium setups. In enclosing configurations, we show that if at least one of two objects is rotationally symmetric, the torque is bounded by heat transfer, since both arise from photon transfers with angular momentum $\hbar n$ and energy $\hbar\omega$. With only one object assumed to be rotationally symmetric, it may be possible to obtain a nonzero torque with reciprocal media, but nonreciprocal media are required to break the symmetry between $n$ and $-n$ and produce a nonzero torque if both objects are rotationally symmetric. We then specialize to concentric cylinders with a nonreciprocal dielectric response and use Rytov fluctuational electrodynamics to express heat transfer and torque in terms of an angular-momentum-resolved flux density, $\Phi_n(\omega)$. We also analyze the conditions for stable levitation of the inner cylinder using the proximity force approximation, in the process obtaining a new analytic formula for the normal Casimir force between dilute plates at different temperatures. Finally, to find the extracted work in a contactless engine setup, we compute the fluctuation-induced friction for a slowly rotating inner cylinder, and we find a bound between torque, friction, and heat transfer. Due to this bound, the efficiency of the heat engine remains bounded by the Carnot limit.

The design of disordered point patterns with desirable properties is an exciting and ongoing research endeavor, with applications ranging from materials to computer science. A successful approach in recent years has been the optimization of point patterns through a loss function that enforces properties in their Fourier-space representation. Yet, these methods have so far strictly been limited to flat Euclidean space, precluding their use in the contexts of coatings of curved surfaces for photonics, or of sampling of curved manifolds for instance. We introduce FaSHIoNPOp, an algorithm that relies on fast non-uniform spherical harmonics transforms, to enforce pair correlations in point patterns on the sphere with an $O(N \log N)$ complexity in $N$ the number of points. Having demonstrated its performance, we showcase applications of FaSHIoNPOp, ranging from the generation of hyperuniform structures on the sphere for sampling and physical applications, to the design of gyromorphs (disordered structures with maximal scattering power at a given frequency) on the sphere. We additionally show that FaSHIoNPOp can be combined to both global constraints like centrosymmetry, with applications to the design of more isotropic $3d$ gyromorphs, and local real-space constraints like pair repulsion. Our work paves the way for optimal sampling and coating design on curved manifolds, with many applications across physics, materials and computer science.

The $GW$ approximation is the standard tool for quasiparticle predictions in materials, yet its regime of validity in correlated systems remains poorly quantified, because ab initio vertex corrections are computationally prohibitive. Using exact diagonalization of the half-filled extended Hubbard model on finite rings as a numerically exact reference, we construct the corresponding model-space $GW$ theory on the identical Hilbert space and quantify its error as a function of local ($U$) and non-local ($V$) interaction strength. We find that the required vertex correction changes character across the phase diagram: in the weak-coupling regime the effective vertex $\Gamma_{\rm eff} < 1$, reflecting the suppression of RPA charge fluctuations by exact short-range correlations, whereas in the Mott regime $\Gamma_{\rm eff}$ grows monotonically (to $\sim 3$ at $U=8t$ for $N=6$), reflecting the local dynamical self-energy structure required to open the Hubbard gap. Vertex corrections in the electron-hole (polarizability) channel are shown to worsen the gap error, indicating that reproducing the Mott gap requires dynamical self-energy structure rather than improved screening. For $V=0$, static COHSEX is accidentally exact at a single crossover $U^* \approx 3.5\,t$; finite $V$, through non-local Fock exchange, splits this point into a double-crossover window that collapses toward weak coupling. Even at the crossover, however, the exact spectral function retains Hubbard-band structure that no static functional reproduces, so gap agreement does not imply functional accuracy. These results yield quantitative diagnostics for the reliability of $GW$ in correlated materials.

We report the use of DFT computation and mathematical models to predict the nonlinear dielectric polarization (P^{NL}) and nonlinear susceptibility coefficients (\chi^{(2)}_{IJK}) of organic materials based on their crystal structures. We apply this computation approach on single-component crystals, co-crystals and ionic crystals found through data mining the Cambridge Structural Database. We verify these computational results with experimental terahertz (THz) generation efficiencies for known THz generators, demonstrating consistency between the measurements and the computed values. Several mined structures show similar or larger PNL values compared to state-of-the-art THz generation crystals DAST, OH1 and BNA, suggesting great potential for their use in nonlinear optical (NLO) applications. Importantly, we also compared the resulting model of nonlinear optical tensor components with commonly-used simplifications of nonlinearity, showing that the comprehensive approach should be the standard method to evaluate the nonlinear optical properties of single-crystalline materials.

Conventional oxide epitaxy approaches face challenges when the oxidation conditions of constituent elements differ significantly. Here we demonstrate that V–O thin films can serve as solid-phase precursors for epitaxial AlV$_2$O$_4$, comprising a pyrochlore V$^{2.5+}$ network coexisting with AlO$_4$ tetrahedra within the spinel structure. The epitaxial AlV$_2$O$_4$/Al$_2$O$_3$ (0001) heterostructures are realized via interfacial topotactic transformation, involving V–O growth at a moderate temperature followed by in-situ ultra-high-temperature post-annealing to drive a reaction with the Al$_2$O$_3$ substrate. Transmission electron microscopy and temperature-dependent X-ray diffraction analyses reveal excellent structural characteristics that closely reproduce the known charge-ordering transition. This study presents a novel approach to realizing epitaxial structures with convoluted oxidation states where thermodynamic and kinetic barriers would otherwise limit synthesizability.

We investigate the emergence of roton instability in self-bound quantum droplets interacting via a finite-range soft-core potential modeled by a Heaviside step interaction. The ground-state properties are obtained by solving the extended Gross-Pitaevskii equation including Lee-Huang-Yang corrections with a nonlocal interaction term. The collective excitation spectrum reveals the formation and progressive softening of a roton minimum as the interaction strength and range increase. When the roton energy approaches zero, the system becomes unstable, signaling the onset of density modulation. The rotonic behavior is further characterized through the static structure factor, which exhibits pronounced peaks at the roton momentum.

Nucleation is a key rate-limiting process in phase transition and phase separation. Recent studies highlight a significant discrepancy between experimentally measured nucleation rates and theoretical predictions, particularly when dynamic structural reordering occurs along multi-step pathways. To bridge this gap, we develop a multi-shell model with a space-time-dependent order-parameter field to describe the reordering-nucleation process, where structural reorganization couples with the early growth of condensed clusters. Through stochastic simulations, we track the time-resolved evolution of heterogeneous structural order inside growing clusters. Path analysis of the first-passage problem in early-stage nucleation demonstrates that shifting the reordering rate alters the nucleation rate by several orders of magnitude. Furthermore, as the coupling strength increases, the relationship between the mean first-passage time and reordering susceptibility shifts from monotonic to non-monotonic, exhibiting a turnover effect. We quantitatively rationalize these behaviors with an effective nucleation barrier that accounts for non-equilibrium properties. Our findings elucidate the mechanisms behind multi-step nucleation and offer a predictive framework for future studies.

We study the equilibrium phase behavior of a fluid confined in a slit made from two patterned walls. Shearing the walls frustrates the fluid, due to a competition between capillary condensation and interface delocalization, forcing the formation of bridging phases with different pinning properties. This leads to an unusually rich phase diagram, displaying first-order and continuous phase transitions, depending sensitively on the slit width and shear. Generalized Kelvin equations determine the phase boundaries, while the bridging phases are characterized by large correlation lengths, predictions for which are tested using a microscopic density functional model.

In multiscale modeling of ferroelectrics, combining atomistic simulation with continuum-scale phase-field models (PFM) remains a fundamental challenge. A key difficulty lies in faithfully capturing discrete atomic-level information within a continuum modeling framework, while accurately representing material behavior at the mesoscale. In this paper, a Physics-Informed Neural Network (PINN) driven by molecular dynamics (MD) data is used. The loss function of the network consists of a supervised term that fits the discrete spatial polarization distributions obtained from MD simulations of systems containing domain walls, and a physics-based term that incorporates the residuals of partial differential equations (PDEs) of steady-state PFM. To ensure stable and balanced training among the different loss components, adaptive gradient normalization (GradNorm) is used to dynamically adjust the task weights. By minimizing the total loss, the model not only reconstructs the polarization field along with the associated strain, stress, and energy landscape at the continuum scale, but also identifies critical physical parameters of the phase-field model, including the characteristic energy density, characteristic length factor, gradient energy anisotropy factor, and Landau polynomial coefficients. By using the PINN-predicted physical parameters in COMSOL Multiphysics to solve the corresponding PDEs within a finite element framework, we demonstrate that these parameters enable accurate reproduction of the ferroelectric domain structure and the associated material response, including stress/strain distributions and energy landscape. This framework provides an effective methodology for establishing multiscale connections between atomistic and continuum descriptions, and holds the potential to infer underlying physical properties directly from polarization distributions for a wide range of materials.

Multi-unit-cell (UC) e̱ta}-FeSe films grown on SrTiO3(100) continue to attract attention because of the significant enhancement in the superconducting transition temperature (Tc) compared to that in bulk FeSe. In prior reports of molecular beam epitaxy (MBE)-grown e̱ta}-FeSe/SrTiO3(100), elaborate growth protocols have been used to achieve enhanced Tc, leading to a general belief that careful pre-treatment of the SrTiO3 substrate and post-growth annealing in ultrahigh vacuum (UHV) are essential. Here, we report a greatly simplified protocol for the MBE growth of superconducting multi-UC e̱ta}-FeSe films on SrTiO3(100), eliminating the need for careful substrate pre-treatment and post-growth UHV annealing while still achieving an enhanced Tc. With appropriate capping, epitaxial films with 14 UC thickness exhibit a zero-resistance transition temperature Tc ~ 20 K in ex situ electrical transport measurements. The MBE optimization process is guided by the growth-parameter dependencies of film morphology and structural properties, as characterized by reflection high-energy electron diffraction, X-ray diffraction, atomic force microscopy, and scanning transmission electron microscopy.

We investigate the transport properties of Su-Schrieffer-Heeger (SSH) chains containing multiple topological domain walls and show that their interaction generates a hierarchy of emergent spectral structures. Each domain wall contributes a localized state inside the SSH gap, and the hybridization of these states produces minibands whose signatures are directly reflected in the transmission spectra. By combining domain-wall lattices with different domain-wall separations, we construct effective SSH structures within the miniband subspace. The resulting transmission spectra reproduce the characteristic features of conventional SSH chains, including gap formation, finite-size resonances, and the correspondence between transmission spectra and band structure. The construction can be applied recursively, generating successive generations of effective SSH structures. As a consequence, effective SSH spectra repeatedly emerge within progressively narrower energy intervals, producing a self-similar hierarchy of minibands and spectral gaps. To understand the origin of this hierarchy, we develop an effective renormalized description based on successive decimation. The effective parameters exhibit a hierarchy of interlaced singularities whose number increases at each iteration. These singularities partition the energy axis into progressively finer intervals and provide a natural interpretation of the repeated fragmentation of the spectrum. Our results show that topological domain-wall states can act as emergent degrees of freedom from which multiscale transport channels, effective couplings, and hierarchical spectral structures may be engineered. More generally, the framework introduced here establishes a connection between recursive topological constructions, effective Hamiltonians, and the emergence of self-similar spectra in one-dimensional systems.