New articles on Condensed Matter


[1] 2407.14580

Universal scaling relations in electron-phonon superconductors

We study linear scaling relations in electron-phonon superconductors. By combining numerical and analytical techniques, we find linear Homes scaling relations between the zero-temperature superfluid density and the normal-state DC conductivity. This is due to Galilean invariance being broken, either via a large impurity scattering rate or inelastic scattering of electrons and Einstein phonons at large electron-phonon coupling. Our work thus shows that Homes scaling is more universal than either cuprate or BCS-like physics, and is instead a fundamental result in a wide class of superconductors.


[2] 2407.14583

Correlated Topological Mixed-Valence Insulators in Moiré Hetero-Bilayers

Moir\'e transition metal dichalcogenide (TMD) materials provide an ideal playground for studying the combined interplay of strong interactions and band-topology over a range of electronic fillings. Here we investigate the panoply of interaction-induced electronic phases that arise at a total commensurate filling of $\nu_T=2$ in moir\'e TMD heterobilayers, focusing specifically on their renormalized band-topology. We carry out a comprehensive self-consistent parton mean-field analysis on an interacting mixed-valence Hamiltonian describing AB-stacked MoTe$_2$/WSe$_2$ to highlight different ingredients that arise due to "Mottness", band-flattening, an enhanced excitonic tendency, and band-inversion, leading to correlated topological semi-metals and insulators. We also propose a possible route towards realizing fractionalized insulators with emergent neutral fermionic excitations in this and other closely related platforms.


[3] 2407.14586

Universal scaling solution for a rigidity transition: renormalization group flows near the upper critical dimension

Rigidity transitions induced by the formation of system-spanning disordered rigid clusters, like the jamming transition, can be well-described in most physically relevant dimensions by mean-field theories. However, we lack a theoretical description of these kinds of rigidity transitions that can detect an upper critical dimension below which mean-field theory fails and predict corrections to the theory in and below this upper critical dimension. Towards that end, we show that the critical exponents for a continuous isotropic rigidity transition predicted by a simple dynamical effective medium theory (the Coherent Potential Approximation, CPA) are not mean-field-like, dimension-independent quantities. Instead, we find that the theory has an upper critical dimension $d_{u}=2$, in which there are the usual logarithmic corrections and below which the critical exponents are modified. We recapitulate Ken Wilson's phenomenology of the $(4-\epsilon)$-dimensional Ising model, but with the upper critical dimension reduced to $2$. We interpret this using normal form theory as a transcritical bifurcation in the RG flows, and posit their explicit forms, incorporating a dangerously irrelevant variable becoming marginal in $d=2$. We also derive universal scaling functions from the CPA sufficient to predict all linear response in randomly diluted isotropic elastic systems. These results indicate the types of corrections one expects to disordered rigidity transitions in $2$ dimensions and provide a pathway to understanding the critical phenomena in such systems.


[4] 2407.14591

DanceQ: High-performance library for number conserving bases

The complexity of quantum many-body problems scales exponentially with the size of the system, rendering any finite size scaling analysis a formidable challenge. This is particularly true for methods based on the full representation of the wave function, where one simply accepts the enormous Hilbert space dimensions and performs linear algebra operations, e.g., for finding the ground state of the Hamiltonian. If the system satisfies an underlying symmetry where an operator with degenerate spectrum commutes with the Hamiltonian, it can be block-diagonalized, thus reducing the complexity at the expense of additional bookkeeping. At the most basic level, required for Krylov space techniques (like the Lanczos algorithm) it is necessary to implement a matrix-vector product of a block of the Hamiltonian with arbitrary block-wavefunctions, potentially without holding the Hamiltonian block in memory. An efficient implementation of this operation requires the calculation of the position of an arbitrary basis vector in the canonical ordering of the basis of the block. We present here an elegant and powerful, multi-dimensional approach to this problem for the $U(1)$ symmetry appearing in problems with particle number conservation. Our divide-and-conquer algorithm uses multiple subsystems and hence generalizes previous approaches to make them scalable. In addition to the theoretical presentation of our algorithm, we provide DanceQ, a flexible and modern - header only - C++20 implementation to manipulate, enumerate, and map to its index any basis state in a given particle number sector as open source software under https://DanceQ.gitlab.io/danceq.


[5] 2407.14627

Dynamical Transition of Quantum Vortex-Pair Annihilation in a Bose-Einstein Condensate

Understanding the elementary mechanism for the dissipation of vortex energy in quantum liquids is one central issue in quantum hydrodynamics, such as quantum turbulence in systems ranging from neutron stars to atomic condensates. In a two-dimensional (2D) Bose-Einstein condensate (BEC) at zero temperature, besides the vortex drift-out process from the boundary, vortex-antivortex pair can annihilate in the bulk, but controversy remains on the number of vortices involved in the annihilation process. We find there exists a dynamical transition from four-body to three-body vortex annihilation processes with the time evolution in a boundary-less uniform quasi-2D BEC. Such dynamical transition depends on the initial vortex pair density, and occurs when the sound waves generated in the vortex annihilation process surpass a critical energy. With the confinement along the third direction is relaxed in a quasi-2D BEC, the critical sound wave energy decreases due to the 3D vortex line curve and reconnection, shifting the dynamical transition to the early time. Our work reveals an elementary mechanism for the dissipation of vortex energy that may help understand exotic matter and dynamics in quantum liquids.


[6] 2407.14639

A multi-body finite element model for hydrogel packings: Linear response to shear

We study a multi-body finite element model of a packing of hydrogel particles using the Flory-Rehner constitutive law to model the deformation of the swollen polymer network. We show that while the dependence of the pressure, $\Pi$, on the effective volume fraction, $\phi$, is virtually identical to a monolithic Flory material, the shear modulus, $\mu$, behaves in a non-trivial way. $\mu$ increases monotonically with $\Pi$ from zero and remains below about $80\%$ of the monolithic Flory value at the largest $\Pi$ we study here. The local shear strain in the particles has a large spatial variation. Local strains near the centers of the particles are all roughly equal to the applied shear strain, but the local strains near the contact facets are much smaller and depend on the orientation of the facet. We show that the slip between particles at the facets depends strongly on the orientation of the facet and is, on average, proportional to the component of the applied shear strain resolved onto the facet orientation. This slip screens the stress transmission and results in a reduction of the shear modulus relative to what one would obtain if the particles were welded together at the facet. Surprisingly, given the reduction in the shear modulus arising from the facet slip, and the spatial variations in the local shear strain inside the particles themselves, the deformation of the particle centroids is rather homogeneous with the strains of the Delaunay triangles having fluctuations of only order $\pm 5\%$. These results should open the way to construction of quantitative estimates of the shear modulus in highly compressed packings via mean-field, effective-medium type approaches.


[7] 2407.14646

Physics of the Edwards-Anderson Spin Glass in Dimensions $d=3,\ldots,8$ from Heuristic Ground State Optimization

We present a collection of simulations of the Edwards-Anderson lattice spin glass at $T=0$ to elucidate the nature of low-energy excitations over a range of dimensions that reach from physically realizable systems to the mean-field limit. Using heuristic methods, we sample ground states of instances to determine their energies while eliciting excitations through manipulating boundary conditions. We exploit the universality of the phase diagram of bond-diluted lattices to make such a study in higher dimensions computationally feasible. As a result, we obtain a verity of accurate exponents for domain wall stiffness and finite-size corrections that allow us to examine their dimensional behavior and their connection with predictions from mean-field theory. We also provide an experimentally testable prediction for the thermal-to-percolative crossover exponent in dilute lattices Ising spin glasses.


[8] 2407.14661

Charge Density Waves in the 2.5-Dimensional Quantum Heterostructure

Charge density wave (CDW) and their interplay with correlated and topological quantum states are forefront of condensed matter research. The 4$H_{b}$-TaS$_2$ is a CDW ordered quantum heterostructure that is formed by alternative stacking of Mott insulating 1T-TaS$_2$ and Ising superconducting 1H-TaS$_2$. While the $\sqrt{13}\times\sqrt{13}$ and 3$\times$3 CDWs have been respectively observed in the bulk 1T-TaS$_2$ and 2H-TaS$_2$, the CDWs and their pivotal role for unconventional superconductivity in the 4$H_{b}$-TaS$_2$ remain unsolved. In this letter, we reveal the 2-dimensional (2D) $\sqrt{13}\times\sqrt{13}$ chiral CDW in the 1T-layers and intra-unit cell coupled 2D 2$\times$2 CDW in the 1H and 1H' layers of 4$H_{b}$-TaS$_2$. Our results establish 4$H_{b}$-TaS$_2$ a novel 2.5D quantum heterostructure, where 2D quantum states emerge from 3D crystalline structure.


[9] 2407.14663

NMR Evidence of Kitaev Fractional Excitations and the perspective of Quantum Glassiness in Na2Co2TeO6

The suppression of magnetic order and the detection of a half-quantized thermal Hall effect in {\alpha}-RuCl3 under the influence of an external magnetic field have sparked significant debate, whether these phenomena point to spin fractionalization, as posited by the Kitaev quantum spin liquid model, or if they arise from more conventional mechanisms in an antiferromagnetically ordered spin state. Here, through 23Na NMR measurements on the layered oxide Na2Co2TeO6 at two distinct magnetic fields (4.7 and 9.4 Tesla), we provide compelling evidence that upon cooling, Kitaev fractional excitations dominate NMR relaxation. This remains true even at 4.7 Tesla, where NMR experiments reveal the onset of an antiferromagnetic phase at TN ~ 25 K. Notably, below 10 K, the NMR relaxation times bifurcate into two components: one retaining the characteristic Kitaev spin liquid features and the other showcasing ultraslow fluctuations adhering to an Arrhenius activation law, indicative of glassy characteristics. These findings suggest that Na2Co2TeO6, and eventually other real-world Kitaev materials, may behave as quantum glass formers rather than homogeneous quantum spin liquids when cooled.


[10] 2407.14667

Probing the spin polarization of an Anderson impurity

We report spin-polarized scanning tunneling microscopy measurements of an Anderson impurity system in MoS$_{2}$ mirror twin boundaries, where both the quantum confined impurity state and the Kondo resonance resulting from the interaction with the substrate are accessible. Using a spin-polarized tip, we observe magnetic field induced changes in the peak heights of the Anderson impurity states as well as in the magnetic field-split Kondo resonance. Quantitative comparison with numerical renormalization group calculations provides evidence of the notable spin polarization of the spin-resolved impurity spectral function under the influence of a magnetic field. Moreover, we extract the field and temperature dependence of the impurity magnetization from the differential conductance measurements and demonstrate that this exhibits the universality and asymptotic freedom of the $S=1/2$ Kondo effect. This work shows that mirror twin boundaries can be used as a testing ground for theoretical predictions on quantum impurity models.


[11] 2407.14670

Optical Absorption and Emission from Wannier-Stark Spectra of Moiré Superlattices

Using a formalism based on the non-Abelian Berry connection, we explore quantum geometric signatures of Wannier-Stark spectra in two-dimensional superlattices. The Stark energy can be written as \textit{intraband} Berry phases, while Zener tunneling is given by \textit{interband} Berry connections. We suggest that the gaps induced by interband hybridization can be probed by THz optical absorption and emission spectroscopy. This is especially relevant to modern moir\'{e} materials wherein mini-bands are often spectrally entangled, leading to strong interband hybridization in the Wannier-Stark regime. Furthermore, owing to their large superlattice constants, both the low-field and high-field regimes can be accessed in these materials using presently available technology. Importantly, even at moderate electric fields, we find that stimulated emission can dominate absorption, raising the possibility of lasing at practically relevant parameter regimes.


[12] 2407.14682

Electronically Amplified Electron-Phonon Interaction and Metal-Insulator Transition in Perovskite Nickelates

The relative role of electron-electron and electron-lattice interactions in driving the metal-insulator transition in perovskite nickelates opens a rare window into the non-trivial interplay of the two important degrees of freedom in solids. The most promising solution is to extract the electronic and lattice contributions during the phase transition by performing high-resolution spectroscopy measurements. Here, we present a three-dimensional electronic structure study of Nd1-xSrxNiO3 (x = 0 and 0.175) thin films with unprecedented accuracy, in which the low energy fermiology has a quantitative agreement with model simulations and first-principles calculations. Two characteristic phonons, the octahedral rotational and breathing modes, are illustrated to be coupled with the electron dynamics in the metallic phase, showing a kink structure along the band dispersion, as well as a hump feature in the energy spectrum. Entering the insulating state, the electron-phonon interaction is amplified by strong electron correlations, transforming the mobile large polarons at high temperatures to localized small polarons in the ground state. Moreover, the analysis of quasiparticle residue enables us to establish a transport-spectroscopy correspondence in Nd1-xSrxNiO3 thin films. Our findings demonstrate the essential role of electron-lattice interaction enhanced by the electronic correlation to stabilize the insulating phase in the perovskite nickelates.


[13] 2407.14688

Phase transitions and cluster structures of the new finite range Lennard-Jones like model

In the current work we revisit the pair-potential recently proposed by Wang et al. (Phys. Chem. Chem. Phys. 10624, 22, 2020) as a well defined finite-range alternative to the widely used Lennard-Jones interaction model. The advantage of their proposed potential is that it not only goes smoothly to zero at the cutoff distance, hence eliminating inconsistencies caused by different treatments of the truncation, but with changing the range of the potential, it is capable of describing soft matter-like behaviour as well as traditional "Lennard-Jones-like" properties. We used the nested sampling method to perform an unbiased sampling of the potential energy surface, and mapped the pressure-temperature phase diagram of a range of truncation distances. We found that the interplay between the location of the energy minimum and interaction range has a complex and strong effect on both the structural and thermodynamic properties of the condensed phases. We discuss the appearance of the liquid-vapour co-existence line and critical point at longer interaction ranges, as well as the relatively small changes in the melting line. We present the ground state diagram, demonstrating that different close-packed polytypic phases appear to be global minima for the model at different pressure and cutoff values, similar to what had been shown in case of the Lennard-Jones model. Finally, we compare the lowest energy structure of some of the N < 60 clusters to that of the known minima of Lennard-Jones and Morse potential, using different cutoff values, revealing a behaviour closely resembling that of the Morse clusters.


[14] 2407.14689

Holographic analysis of boundary correlation functions for the hyperbolic-lattice Ising model

We analyze boundary spin correlation functions of the hyperbolic-lattice Ising model from the holographic point of view. Using the corner-transfer-matrix renormalization group (CTMRG) method, we demonstrate that the boundary correlation function exhibits power-law decay with quasi-periodic oscillation, while the bulk correlation function always decays exponentially. On the basis of the geometric relation between the bulk correlation path and distance along the outer edge boundary, we find that scaling dimensions for the boundary correlation function can be well explained by the combination of the bulk correlation length and background curvatures inherent to the hyperbolic lattice. We also investigate the cutoff effect of the bond dimension in CTMRG, revealing that the long-distance behavior of the boundary spin correlation is accurately described even with a small bond dimension. In contrast, the sort-distance behavior rapidly loses its accuracy.


[15] 2407.14706

First Order Preemptive Ising-nematic Transition in K$_{5}$Fe$_{4}$Ag$_{6}$Te$_{10}$

Employing inelastic X-ray scattering and neutron scattering techniques, we observed nematic and magnetic phase transitions with distinct characters in K$_{5}$Fe$_{4}$Ag$_{6}$Te$_{10}$. Upon cooling, the nematic order undergoes a strongly first-order phase transition followed by a second-order magnetic transition at $T_{\textrm{N}}$ $\approx$ 34.6 K. The temperature difference between these two phase transitions is $\sim$ 1 K. The observed phenomenon can be attributed to a distinctive first-order preemptive Ising-nematic transition, a characteristic unique to a quasi-two-dimensional scenario marked by strong out-of-plane spatial anisotropy due to weak coupling. Our studies establish K$_{5}$Fe$_{4}$Ag$_{6}$Te$_{10}$ as the first material in the family of iron pnictides and chalcogenides that possesses a nematic tricritical point preceding the magnetic one upon decreasing nematic coupling.


[16] 2407.14777

DFT investigation of novel cubic carbon allotrope, yne-C$_{16}$

Novel cubic allotrope yne-C$_{16}$ with sp$^3$/sp$^1$ carbon hybridizations is devised based on crystal chemistry and computations of the ground structure and the energy-dependent quantities within the quantum density functional theory DFT. With respect to srs-C8 characterized by trigonal C(sp$^2$), yne-C$_{16}$ is identified with original C -- C triple bond-like units and distorted tetrahedra. The new allotrope is qualified with unknown topology. At the elementary building unit, C$_{16}$ looks like a pyramidal molecule such as :PCl3, with ":" symbolizing the phosphorous lone pair. With this conceptualization C$_{16}$ has three bond pairs (SIGMA-like) making the pyramid base and the C(triple-bond)C with large PI character resembling phosphorous electron lone pair (:) at the apex of the pyramid. The new allotrope was found cohesive and stable both mechanically (positive elastic constants) as well as dynamically (phonons band structure). C$_{16}$ is characterized with a weakly metallic character.


[17] 2407.14787

Terahertz antiferromagnetic dynamics induced by ultrafast spin currents

Insulating antiferromagnets are anticipated as the main protagonists of ultrafast spintronics, with their intrinsic terahertz dynamics and their abililty to transport spin information over long distances. However, direct transfer of spin angular momentum to an antiferromagnetic insulator at picosecond time scales remains to be demonstrated. Here, studying the ultrafast behaviour of ferromagnetic metal/antiferromagnetic insulator bilayers, we evidence the generation of coherent excitations in the antiferromagnet combined with a modulation of the demagnetization behavior of the ferromagnet. This confirms that magnetic information can indeed be propagated into antiferromagnetic spin waves at picosecond timescales, thereby opening an avenue towards ultrafast manipulation of magnetic information.


[18] 2407.14802

Non-local quench spectroscopy of fermionic excitations in 1D quantum spin chains

The elementary excitations of quantum spin systems have generally the nature of weakly interacting bosonic quasi-particles, generated by local operators acting on the ground state. Nonetheless in one spatial dimension the nature of the quasiparticles can change radically, since many relevant one-dimensional $S=1/2$ Hamiltonians can be exactly mapped onto models of spinless fermions with local hopping and interactions. Due to the non-local nature of the spin-to-fermion mapping, observing directly the fermionic quasiparticle excitations is impossible using local probes, which are at the basis of all the forms of spectroscopy (such as neutron scattering) traditionally available in condensed matter physics. Here we show theoretically that \emph{quench spectroscopy} for synthetic quantum matter -- which probes the excitation spectrum of a system by monitoring the nonequilibrium dynamics of its correlation functions -- can reconstruct accurately the dispersion relation of fermionic quasiparticles in spin chains. This possibility relies on the ability of quantum simulation experiments to measure non-local spin-spin correlation functions, corresponding to elementary fermionic correlation functions. Our analysis is based on new exact results for the quench dynamics of quantum spin chains; and it opens the path to probe arbitrary quasiparticle excitations in synthetic quantum matter.


[19] 2407.14848

Grain boundary segregation spectrum in basal-textured Mg alloys: From solute decoration to structural transition

Mg alloys are promising lightweight structural materials due to their low density and excellent mechanical properties. However, their limited formability and ductility necessitate improvements in these properties, specifically through texture modification via grain boundary segregation. While significant efforts have been made, the segregation behavior in Mg polycrystals, particularly with basal texture, remains largely unexplored. In this study, we performed atomistic simulations to investigate grain boundary segregation in dilute and concentrated solid solution Mg-Al alloys. We computed the segregation energy spectrum of basal-textured Mg polycrystals, highlighting the contribution from specific grain boundary sites, such as junctions, and identified a newly discovered bimodal distribution which is distinct compared to the conventional skew-normal distribution found in randomly-oriented polycrystals. Using a hybrid molecular dynamics/Monte Carlo approach, we simulated segregation behavior at finite temperatures, identifying grain boundary structural transitions, particularly the varied fraction and morphology of topologically close-packed grain boundary phases when changing thermodynamic variables. The outcomes of this study offer crucial insights into basal-textured grain boundary segregation and phase formation, which can be extended to other relevant Mg alloys containing topologically close-packed intermetallics.


[20] 2407.14852

Competitive helical bands and highly efficient diode effect in F/S/TI/S/F hybrid structures

The diode effect in superconducting materials has been actively investigated in recent years. Plenty of different devices have been proposed as a platform to observe the superconducting diode effect. In this work we discuss the possibility of a highly efficient superconducting diode design with controllable polarity. We propose the mesoscopic device that consists of two separated superconducting islands with proximity induced ferromagnetism deposited on top of the three-dimensional topological insulator. Using the quasiclassical formalism of the Usadel equations we demonstrate that the sign of the diode efficiency can be controlled by magnetization tuning of a single superconducting island. Moreover, we show that the diode efficiency can be substantially increased in such device. We argue that the dramatic increase of the diode efficiency is due to competing contribution of the two superconducting islands to the supercurrent with single helical bands linked through the topological insulator surface.


[21] 2407.14854

Geometric phase and multipartite entanglement of Rydberg atom chains

We investigate the behavior of geometric phase (GP) and geometric entanglement (GE), a multipartite entanglement measure, across quantum phase transitions in Rydberg atom chains. Using density matrix renormalization group calculations and finite-size scaling analysis, we characterize the critical properties of transitions between disordered and ordered phases. Both quantities exhibit characteristic scaling near transition points, with the disorder to $Z_2$ ordered phase transition showing behavior consistent with the Ising universality class, while the disorder to $Z_3$ phase transition displays distinct critical properties. We demonstrate that GP and GE serve as sensitive probes of quantum criticality, providing consistent critical parameters and scaling behavior. A unifying description of these geometric quantities from a quantum geometry perspective is explored, and an interferometric setup for their potential measurement is discussed. Our results provide insights into the interplay between geometric phase and multipartite entanglement near quantum phase transitions in Rydberg atom systems, revealing how these quantities reflect the underlying critical behavior in these complex quantum many-body systems.


[22] 2407.14855

Non-Abelian Gauge Theory for Magnons in Topologically Textured Frustrated Magnets

We develop an effective gauge theory for three-flavored magnons in frustrated magnets hosting topological textures with the aid of the quaternion representation of the SO(3) order parameter. We find that the effect of topological solitons on magnons is captured generally by the non-Abelian emergent electromagnetic fields, distinct from the previously established gauge theory for magnons in collinear magnets where the gauge theory is often restricted to be Abelian. As concrete examples, $4\pi$-vortices in two-/three-dimensional magnets and Shankar skyrmions in three-dimensional magnets are discussed in detail, which are shown to induce, respectively, the Abelian and the non-Abelian topological magnetic field on magnons, and thereby engender the topological Hall transport in textured frustrated magnets. Our work is applicable to a broad class of magnetic materials whose low-energy manifold is described by the SO(3) order parameter. We envision that the discovery of the non-Abelian magnonic gauge theory will enrich the field of magnonics as well as prompt the study of magnon transport in textured frustrated magnets.


[23] 2407.14881

An asymptotically consistent morphoelastic shell model for compressible biological structures with finite-strain deformations

We derive an asymptotically consistent morphoelastic shell model to describe the finite deformations of biological tissues using the variational asymptotical method. Biological materials may exhibit remarkable compressibility when under large deformations, and we take this factor into account for accurate predictions of their morphoelastic changes. The morphoelastic shell model combines the growth model of Rodriguez et al. and a novel shell model developed by us. We start from the three-dimensional (3D) morphoelastic model and construct the optimal shell energy based on a series expansion around the middle surface. A two-step variational method is applied that retains the leading-order expansion coefficient while eliminating the higher-order ones. The main outcome is a two-dimensional (2D) shell energy depending on the stretching and bending strains of the middle surface. The derived morphoelastic shell model is asymptotically consistent with three-dimensional morphoelasticity and can recover various shell models in literature. Several examples are shown for the verification and illustration.


[24] 2407.14886

Generalized Langevin equation for a tagged monomer in a Gaussian semiflexible polymer

In this study, we present a comprehensive analysis of the motion of a tagged monomer within a Gaussian semiflexible polymer model. We carefully derived the generalized Langevin Equation (GLE) that governs the motion of a tagged central monomer. This derivation involves integrating out all the other degrees of freedom within the polymer chain, thereby yielding an effective description of the viscoelastic motion of the tagged monomer. A critical component of our analysis is the memory kernel that appears in the GLE. By examining this kernel, we characterized the impact of bending rigidity on the non-Markovian diffusion dynamics of the tagged monomer. Furthermore, we calculated the mean-squared displacement of the tagged monomer using the derived GLE. Our results not only show remarkable agreement with previously known results in certain limiting cases but also provide dynamic features over the entire timescale.


[25] 2407.14887

Small Signal Capacitance in Ferroelectric HZO: Mechanisms and Physical Insights

This study presents a theoretical investigation of the physical mechanisms governing small signal capacitance in ferroelectrics, focusing on Hafnium Zirconium Oxide. Utilizing a time-dependent Ginzburg Landau formalism-based 2D multi-grain phase-field simulation framework, we simulate the capacitance of metal-ferroelectric-insulator-metal (MFIM) capacitors. Our simulation methodology closely mirrors the experimental procedures for measuring ferroelectric small signal capacitance, and the outcomes replicate the characteristic butterfly capacitance-voltage behavior. We delve into the components of the ferroelectric capacitance associated with the dielectric response and polarization switching, discussing the primary physical mechanisms - domain bulk response and domain wall response - contributing to the butterfly characteristics. We explore their interplay and relative contributions to the capacitance and correlate them to the polarization domain characteristics. Additionally, we investigate the impact of increasing domain density with ferroelectric thickness scaling, demonstrating an enhancement in the polarization capacitance component (in addition to the dielectric component). We further analyze the relative contributions of the domain bulk and domain wall responses across different ferroelectric thicknesses. Lastly, we establish the relation of polarization capacitance components to the capacitive memory window (for memory applications) and reveal a non-monotonic dependence of the maximum memory window on HZO thickness.


[26] 2407.14898

Disentangling Electronic and Phononic Thermal Transport Across 2D Interfaces

Electrical and thermal transport across material interfaces is key for 2D electronics in semiconductor technology, yet their relationship remains largely unknown. We report a theoretical proposal to separate electronic and phononic contributions to thermal conductance at 2D interfaces, which is validated by non-equilibrium Green's function calculations and molecular dynamics simulations for graphene-gold contacts. Our results reveal that while metal-graphene interfaces are transparent for both electrons and phonons, non-covalent graphene interfaces block electronic tunneling beyond two layers but not phonon transport. This suggests that the Wiedemann-Franz law can be experimentally tested by measuring transport across interfaces with varying graphene layers.


[27] 2407.14902

Infrared magneto-polaritons in MoTe$_2$ mono- and bilayers

MoTe$_2$ monolayers and bilayers are unique within the family of van-der-Waals materials since they pave the way towards atomically thin infrared light-matter quantum interfaces, potentially reaching the important telecommunication windows. Here, we report emergent exciton-polaritons based on MoTe$_2$ monolayer and bilayer in a low-temperature open micro-cavity in a joint experiment-theory study. Our experiments clearly evidence both the enhanced oscillator strength and enhanced luminescence of MoTe$_2$ bilayers, signified by a 38 \% increase of the Rabi-splitting and a strongly enhanced relaxation of polaritons to low-energy states. The latter is distinct from polaritons in MoTe$_2$ monolayers, which feature a bottleneck-like relaxation inhibition. Both the polaritonic spin-valley locking in monolayers and the spin-layer locking in bilayers are revealed via the Zeeman effect, which we map and control via the light-matter composition of our polaritonic resonances.


[28] 2407.14918

Polytypic Quantum Wells in Si and Ge: Impact of 2D Hexagonal Inclusions on Electronic Band Structure

Crystal defects, traditionally viewed as detrimental, are now being explored for quantum technology applications. This study focuses on stacking faults in silicon and germanium, forming hexagonal inclusions within the cubic crystal and creating quantum wells that modify electronic properties. By modeling defective structures with varying hexagonal layer counts, we calculated formation energies and electronic band structures. Our results show that hexagonal inclusions in Si and Ge exhibit a direct band gap, changing with inclusion thickness, effectively functioning as quantum wells. We find that Ge inclusions have a direct band gap and form Type-I quantum wells. This research highlights the potential of manipulating extended defects to engineer the optoelectronic properties of Si and Ge, offering new pathways for advanced electronic and photonic device applications.


[29] 2407.14919

Superfluid Weight Crossover and Critical Temperature Enhancement in Singular Flat Bands

Non-analytic Bloch eigenstates at isolated band degeneracy points exhibit singular behavior in the quantum metric. Here, a description of superfluid weight for zero-energy flat bands in proximity to other high-energy bands is presented, where they together form a singular band gap system. When the singular band gap closes, the geometric and conventional contributions to the superfluid weight as a function of the superconducting gap exhibit different crossover behaviors. The scaling behavior of superfluid weight with the band gap is studied in detail, and the effect on the Berezinskii-KosterlitzThouless (BKT) transition temperature is explored. It is discovered that tuning the singular band gap provides a unique mechanism for enhancing the supercurrent and critical temperature of two-dimensional (2D) superconductors.


[30] 2407.14950

Ferrimagnetic hexagonal Mn$_2$CuGe Heusler alloy with a low-temperature spin-glass state

An extensive experimental investigation on the structural, static magnetic, and non-equilibrium dynamical properties of polycrystalline Mn$_2$CuGe Heusler alloy using powder X-ray diffraction, DC magnetization, magnetic relaxation, magnetic memory effect, and specific heat measurements is presented. Structural studies reveal that the alloy crystallizes in a mixed hexagonal crystal structure (space groups P3c1 (no. 158) and P6$_3$/mmc (no. 194)) with lattice parameters a = b = 7.18(4) $\mathring{A}$ and c = 13.12(4) $\mathring{A}$ for the majority phase. The DC magnetization analysis reveals a paramagnetic to ferrimagnetic phase transition around T$_C$ $\approx$ 682 K with a compensation of magnetization at $\approx$ 250 K, and a spin-glass transition around T$_P$ $\approx$ 25.6 K. The N\'eel theory of ferrimagnets supports the ferrimagnetic nature of the studied alloy and the estimated T$_C$ ($\approx$ 687 K) from this theory is consistent with that obtained from the DC magnetization data. A detailed study of non-equilibrium spin dynamics via magnetic relaxation and memory effect experiments shows the evolution of the system through a number of intermediate states and striking magnetic memory effect. Furthermore, heat capacity measurements suggest a large electronic contribution to the specific heat capacity suggesting strong spin fluctuations, due to competing magnetic interactions. All the observations render a spin-glass behavior in Mn$_2$CuGe, attributed to the magnetic frustration possibly arising out of the competing ferromagnetic and antiferromagnetic interactions.


[31] 2407.14966

Multi-dimensional memory in sheared granular materials

To explore what features of multi-dimensional training can be remembered in granular materials, the response of a small, two-dimensional packing of hydrogel spheres to two independent types of shear is measured. Packings are trained via the application of several identical shear cycles, either of a single shear type or combinations of the two types. The memory is then read out using a standard protocol capable of revealing memories as a cusp at the point where readout reaches the training strain. The ability to read out a memory is sensitive not only to the type of deformation applied but also to the order in which different types of training are performed. These results underscore the importance of thinking of memories not as single remembered value (amplitude) but as a learned path through phase space.


[32] 2407.15000

Practically universal representation of the Helfand-Werthamer upper critical field for any transport scattering rate

The simplified scaling of the orbital upper critical field, $H_{c2}(T)$, for the isotropic case is discussed. To facilitate the analysis of the experimental data, we suggest a simple but accurate approximation in the entire temperature range of the scaled upper critical field valid for any transport scattering rate $H_{c2}/H_{c2}(0) \approx (1-t^2)/(1+0.42 \,t^{1.47})$.


[33] 2407.15019

Photoinduced charge injection from shallow point defects in diamond into water

Thanks to its low or negative surface electron affinity and chemical inertness, diamond is attracting broad attention as a source material of solvated electrons produced by optical excitation of the solid-liquid interface. Unfortunately, its wide bandgap typically imposes the use of wavelengths in the ultra-violet range, hence complicating practical applications. Here we probe the photocurrent response of water surrounded by single-crystal diamond surfaces engineered to host shallow nitrogen-vacancy (NV) centers. We observe clear signatures of diamond-induced photocurrent generation throughout the visible range and for wavelengths reaching up to 594 nm. Experiments as a function of laser power suggest that NV centers and other co-existing defects - likely in the form of surface traps - contribute to carrier injection, though we find that NVs dominate the system response in the limit of high illumination intensities. Given our growing understanding of near-surface NV centers and adjacent point defects, these results open new perspectives in the application of diamond-liquid interfaces to photo-carrier-initiated chemical and spin processes in fluids.


[34] 2407.15029

Atomic-Layer-Controlled Magnetic Orders in MnBi2Te4-Bi2Te3 Topological Heterostructures

The natural van der Waals superlattice MnBi2Te4-(Bi2Te3)m provides an optimal platform to combine topology and magnetism in one system with minimal structural disorder. Here, we show that this system can harbor both ferromagnetic (FM) and antiferromagnetic (AFM) orders and that these magnetic orders can be controlled in two different ways by either varying the Mn-Mn distance while keeping the Bi2Te3/MnBi2Te4 ratio constant or vice versa. We achieve this by creating atomically engineered sandwich structures composed of Bi2Te3 and MnBi2Te4 layers. We show that the AFM order is exclusively determined by the Mn-Mn distance whereas the FM order depends only on the overall Bi2Te3/MnBi2Te4 ratio regardless of the distance between the MnBi2Te4 layers. Our results shed light on the origins of the AFM and FM orders and provide insights into how to manipulate magnetic orders not only for the MnBi2Te4-Bi2Te3 system but also for other magneto-topological materials.


[35] 2407.15032

Vacuum induced three-body delocalization in cavity quantum materials

In this study, we demonstrate that the vacuum itself suffices to delocalize an Anderson insulator inside a cavity. By studying a disordered one-dimensional spinless fermion system coupled to a single photon mode describing the vacuum fluctuation, we find that even though the cavity mode does not qualitatively change the localization behavior for a single-fermion system, it indeed leads to delocalization via a vacuum fluctuation-induced correlated hopping mechanism for systems with at least three fermions. A mobility edge separating the low-energy localized eigenstates and the high-energy delocalized eigenstates has been revealed. It is shown that such a one-dimensional three-fermion system in with correlated hopping can be mapped to a single-particle system with hopping along the face diagonals in a three dimensional lattice. The effect of the dissipation as well as a many-body generalization have also been discussed.


[36] 2407.15039

Electron energy-loss spectrum and exciton band structure of ${\mathrm{WSe}}_{2}$ monolayer studied by ab initio Bethe-Salpeter equation calculations

Bounded excitons in transition metal dichalcogenides monolayers lead to numerous opto-electronic applications, which require a detailed understanding of the exciton dynamics. The dynamical properties of excitons with finite momentum transfer $\textbf{Q}$ can be investigated experimentally using electron energy-loss (EEL) spectroscopy. The EEL spectrum depends on the response function of the material which in turn is determined by the exciton energies and eigenvectors in the exciton band structure. In this work, we utilize ab initio density-functional theory plus Bethe-Salpeter equation (DFT+BSE) approach to explore the exciton band structure and also $\textbf{Q}$-resolved EEL spectrum in monolayer ${\mathrm{WSe}}_{2}$. In particular, we carefully examine the discrepancies and connections among the existing EEL spectrum formulas for quasi-two-dimensional (2D) systems, and establish a proper definition of the EEL spectrum, which is then used to calculate the EEL spectra of monolayer ${\mathrm{WSe}}_{2}$. We find that remarkably, the dispersion of the calculated lowest-energy EELS peaks for the in-plane momentum transfer follows almost precisely the non-parabolic upper band of the lowest bright A exciton, and also agrees well with the previous experiment. Furthermore, we show that only the bright exciton with its electric dipole being parallel to the direction of the transfered momentum is excited, i.e., EEL spectroscopy selectively probes bright exciton bands. This explains why only the upper band of the A exciton, which is a longitudinal exciton with an in-plane dipole moment, was observed in the previous experiment. Our findings will stimulate further EEL experiments to measure other branches of the exciton band structure, such as the parabolic lower band of the A exciton, and hence will lead to a better understanding of the exciton dynamics in quasi-2D materials.


[37] 2407.15061

Colloidal Clusters as models for chiral active micromotors

Circular swimmers with tunable orbit radius and chirality are gaining attention due to their potential to illustrate novel collective phases in simulations and synthetic and biological active matter. Here, we present a facile experimental strategy for fabricating active rotors using chemically cross-linked clusters of Janus colloids. Janus clusters are propelled by induced charge electrophoresis in an alternating electric field. We demonstrate capillary-assisted assembly as a feasible path toward expanding the fabrication process to get large amounts of uniform circular clusters. Systematic studies of the Janus clusters reveal circular motion with tunable angular velocity, orbit radius, and chirality and a relation between the radius of gyration of the cluster and their rotational dynamics. Importantly, clusters with uniform azimuthal angles behave distinctly exhibiting larger orbit radii, while those with random angles exhibit higher angular velocities and smaller radii. We also validate the kinetic model for clusters beyond dimers. Collectively, our studies highlight that Janus clusters as promising candidates as controlled circular rotors with tunable properties and, hence in the future, will facilitate studies on the collective behaviors of synthetic chiral rotors.


[38] 2407.15074

Magneto-thermoelectricty of anisotropic two-dimensional materials

We use semiclassical Boltzmann transport theory to analytically study the electronic contribution to the linear thermoelectric response of anisotropic two-dimensional materials subjected to a perpendicular magnetic field. Conventional methods, such as the relaxation-time approximation within the Boltzmann formalism, often yield qualitatively incorrect results when applied to anisotropic mediums. On the other hand, the vector mean free path provides exact solutions for the linearized Boltzmann transport equation, and in principle, we can systematically evaluate it to any desired order in the external magnetic field. After laying out the general formalism of the magneto-thermoelectric responses of anisotropic systems based on the vector mean free path approach, we study the longitudinal and Hall charge conductivities, as well as the Seebeck and Nernst coefficients of two representative anisotropic two-dimensional electronic systems: a semi-Dirac semimetal and a two-dimensional system of tilted massless Dirac fermions.


[39] 2407.15081

Deterministic and Efficient Switching of Sliding Ferroelectrics

Recent studies highlight the scientific importance and broad application prospects of two-dimensional (2D) sliding ferroelectrics, which prevalently exhibit vertical polarization with suitable stackings. It is crucial to understand the mechanisms of sliding ferroelectricity and to deterministically and efficiently switch the polarization with optimized electric fields. Here, applying our newly developed DREAM-Allegro multi-task equivariant neural network, which simultaneously predicts interatomic potentials and Born effective charges, we construct a comprehensive potential for boron nitride ($\mathrm{BN}$) bilayer. The molecular dynamics simulations reveal a remarkably high Curie temperature of up to 1500K, facilitated by robust intralayer chemical bonds and delicate interlayer van der Waals(vdW) interactions. More importantly, it is found that, compared to the out-of-plane electric field, the inclined field not only leads to deterministic switching of electric polarization, but also largely lower the critical strength of field, due to the presence of the in-plane polarization in the transition state. This strategy of an inclined field is demonstrated to be universal for other sliding ferroelectric systems with monolayer structures belonging to the symmetry group $p \bar{6} m 2$, such as transition metal dichalcogenides (TMDs).


[40] 2407.15097

Bilayer stacking A-type altermagnet: A general approach to generating two-dimensional altermagnetism

In this article, we propose a new concept of bilayer stacking A-type altermagnet (BSAA), in which two identical ferromagnetic monolayers are stacked with antiferromagnetic coupling to form a two-dimensional A-type altermagnet. By solving the stacking model, we derive all BSAAs for all layer groups and draw three key conclusions: (1) Only 17 layer groups can realize intrinsic A-type altermagnetism. All 2D A-type altermagnets must belong to these 17 layer groups, which will be helpful to search for 2D A-type altermagnet. (2) It is impossible to connect the two sublattices of BSAA using $S_{3z}$ or $S_{6z}$, a constraint that is also applicable to all 2D altermagnets. (3) $C_{2\alpha}$ is a general stacking operation to generate BSAA for an arbitrary monolayer. Our theory not only can explain the previously reported twisted-bilayer altermagnets, but also can provide more possibilities to generate A-type altermagnets. Our research has significantly broadened the range of candidate materials for 2D altermagnets. Based on conclusion (1), the bilayer NiZrCl$_6$ is predicted to exhibit intrinsic A-type altermagnetism. Additionally, we use twisted-bilayer NiCl$_2$, previously reported in the literature, as the second example of BSAA. Furthermore, utilizing symmetry analysis and first-principles calculation, we scrutinize their spin-momentum locking characteristic to substantiate their altermagnetic properties.


[41] 2407.15101

Holographic nature of critical quantum states of proteins

The Anderson metal-insulator transition is a fundamental phenomenon in condensed matter physics, describing the transition from a conducting (metallic) to a non-conducting (insulating) state driven by disorder in a material. At the critical point of the Anderson transition, wave functions exhibit multifractal behavior, and energy levels display a universal distribution, indicating non-trivial correlations in the eigenstates. Recent studies have shown that proteins, traditionally considered as insulators, exhibit much higher conductivity than previously assumed. In this paper, we investigate several proteins known for their efficient electron transport properties. We compare their energy level statistics, eigenfunction correlation, and electron return probability to those expected in metallic, insulating, or critical states. Remarkably, these proteins exhibit properties of critically disordered metals in their natural state without any parameter adjustment. Their composition and geometry are self-organized into the critical state of the Anderson transition, and their fractal properties are universal and unique among critical systems. Our findings suggest that proteins' wave functions fulfill "holographic" area laws, and the correlation fractal dimension is precisely $d_2=2$.


[42] 2407.15109

Entangled photon-pair emission in circuit QED from a Cooper pair splitter

As part of a circuit QED architecture, we investigate photon emission from a Cooper pair splitter composed of two double quantum dots, each coupled to a microwave transmission line. We demonstrate the capability to generate frequency-entangled photon pairs in the left and right transmission lines, specifically a superposition of two photon wavepackets at different frequencies. The photon frequencies are determined by the energy detuning in each double quantum dot and by the nonlocal superconducting pairing amplitude, which results from the tunnel coupling with the superconducting nanocontact placed between the two double quantum dots. The frequency entanglement of the two photons arises from the particle-hole coherent superposition involving the delocalized entangled spin singlet. We also estimate an upper bound for the efficiency of entangled photon-pair generation, accounting for the presence of non-radiative processes such as phonon emissions. Using parameters from cutting-edge circuit QED devices with quantum dots, our proposal is realistic and could be implemented with state-of-the-art microwave nanoscale engineering.


[43] 2407.15129

Tethered flexible polymer under oscillatory linear flow

The non-equilibrium structural and dynamical properties of a flexible polymer tethered to a reflecting wall and subject to oscillatory linear flow are studied by numerical simulations. Polymer is confined in two dimensions and is modeled as a bead-spring chain immersed in a fluid described by the Brownian multiparticle collision dynamics. At high strain, the polymer is stretched along the flow direction following the applied flow, then recoils at flow inversion before flipping and elongate again. When strain is reduced, it may happen that the chain recoils without flipping when the applied shear changes sign. Conformations are analyzed and compared to stiff polymers revealing more compact patterns at low strains and less stretched configurations at high strain. The dynamics is investigated by looking at the center-of-mass motion which shows a frequency doubling along the direction normal to the external flow. The center-of-mass correlation function is characterized by smaller amplitudes when reducing bending rigidity.


[44] 2407.15142

A Feasible Way to Find Above-Room-Temperature Ferromagnetic Spintronic Materials: from Flat Band Engineering

Finding and designing ferromagnets that operate above room temperature is crucial in advancing high-performance spintronic devices. The pioneering van der Waals (vdW) ferromagnet Fe$_3$GaTe$_2$ has extended the way for spintronic applications by achieving a record-high Curie temperature among its analogues. However, the physical mechanism of increasing Cuire temperature still needs to be explored. Here, we propose a practical approach to discovering high-temperature ferromagnetic materials for spintronic applications through flat band engineering. We simulate the magnetic transition directly from strongly correlated calculations, reconciling the dual nature of $d$-electrons with both localization and itinerant characters. Significantly, our systematic studies unveil the emergence of quasi-particle flat bands arising from collective many-body excitations preceding the ferromagnetic phase transition, reinforcing magnetic stability through a positive feedback mechanism. This research provides a promising pathway for exploring next-generation spintronic devices utilizing low-dimensional vdW flat band systems.


[45] 2407.15145

Janus MoSSe nanotubes on one-dimensional SWCNT-BNNT van der Waals heterostructures

2D Janus TMDC layers with broken mirror symmetry exhibit giant Rashba splitting and unique excitonic behavior. For their 1D counterparts, the Janus nanotubes possess curvature, which introduce an additional degree of freedom to break the structural symmetry. This could potentially enhance these effects or even give rise to novel properties. In addition, Janus MSSe nanotubes (M=W, Mo), with diameters surpassing 4 nm and Se positioned externally, consistently demonstrate lower energy states than their Janus monolayer counterparts. However, there have been limited studies on the preparation of Janus nanotubes, due to the synthesis challenge and limited sample quality. Here we first synthesized MoS2 nanotubes based on SWCNT-BNNT heterostructure and then explored the growth of Janus MoSSe nanotubes from MoS2 nanotubes with the assistance of H2 plasma at room temperature. The successful formation of the Janus structure was confirmed via Raman spectroscopy, and microscopic morphology and elemental distribution of the grown samples were further characterized. The synthesis of Janus MoSSe nanotubes based on SWCNT-BNNT enables the further exploration of novel properties in Janus TMDC nanotubes.


[46] 2407.15149

Dynamical arrest in active nematic turbulence

Active fluids display spontaneous turbulent-like flows known as active turbulence. Recent work revealed that these flows have universal features, independent of the material properties and of the presence of topological defects. However, the differences between defect-laden and defect-free active turbulence remain largely unexplored. Here, by means of large-scale numerical simulations, we show that defect-free active nematic turbulence can undergo dynamical arrest. We find that flow alignment -- the tendency of nematics to reorient under shear -- enhances large-scale jets in contractile rodlike systems while promoting arrested flow patterns in extensile systems. Our results reveal a mechanism of labyrinthine pattern formation produced by an emergent topology of nematic domain walls that partially suppresses chaotic flows. Taken together, our findings call for the experimental realization of defect-free active nematics, and suggest that topological defects enable turbulence by preventing dynamical arrest.


[47] 2407.15150

First-principles study of structural and electronic properties of multiferroic oxide Mn3TeO6 under high pressure

Mn3TeO6 (MTO) has been experimentally found to adopt a P21/n structure under high pressure, which exhibits a significantly smaller band gap compared to the atmospheric R-3 phase. In this study, we systematically investigate the magnetism, structural phase transition and electronic properties of MTO under high pressure through first-principles calculations. Both R-3 and P21/n phases of MTO are antiferromagnetic at zero temperature. The R-3 phase transforms to the P21/n phase at 7.58 GPa, accompanied by a considerable volume collapse of about 6.47%. Employing the accurate method that combines DFT+U and G0W0, the calculated band gap of R-3 phase at zero pressure is very close to the experimental values, while that of the P21/n phase is significantly overestimated. The main reason for this difference is that the experimental study incorrectly used the Kubelka-Munk plot for the indirect band gap to obtain the band gap of the P21/n phase instead of the Kubelka-Munk plot for the direct band gap. Furthermore, our study reveals that the transition from the R-3 phase to the P21/n phase is accompanied by a slight reduction in the band gap.


[48] 2407.15157

Exotic Nd 4f electron magnetism in Nd2RhSi3

The compound, Nd2PdSi3, belonging to R2PdSi3 family (R = rare-earths) has been known to exhibit exotic behavior due to unusual Nd 4f hybridization. Here, we study the electronic properties of Nd2RhSi3 employing ac and dc magnetization, heat-capacity, electrical resistivity and magnetoresistance measurements, as Nd 4f hybridization is expected to be slightly different due to the changes in the 4d element. The experimental results establish that, like the Pd analogue, this compound also exhibits ferromagnetic ordering at a rather high temperature of 16.5 K, unlike many other rare-earth members of this family which are antiferromagnetic, with a complex magnetism at further lower temperatures (less than 10 K). There are differences in the measured properties with respect to the Pd analogue, the most important one being the observation of spin-glass features at a temperature significantly higher than the Curie temperature. This is attributed to a gradual evolution of cluster magnetism with decreasing temperature. We infer that the changes in Nd 4f hybridization due to Rh 4d (instead of Pd 4d) plays a role in some fashion for such differences. These properties are attributed to the competing magnetic ground states due to geometrical frustration arising out of triangular arrangement of Nd ions with a bond disorder.


[49] 2407.15164

Theoretical Study on the Structural and Thermodynamic Properties of U-He compounds under High Pressure

Uranium is considered as a very important nuclear energy material because of the huge amount of energy released. As the main products of spontaneous decay of uranium, helium is difficult to react with uranium for its chemical inertness. Therefore, bubbles will be formed inside uranium, which could greatly reduce the performance of uranium or cause the safety problems. Additionally, nuclear materials are usually operated in an environment of high-temperature and high-pressure, so it is necessary to figure out the exact state of helium inside uranium at extreme conditions. Here, we explored the structural stability of U-He system under high-pressure and high-temperature by using density functional theory calculations. Two metastable phases are found between 50 and 400 GPa: U4He with space group Fmmm and U6He with space group P-1. Both are metallic and adopt layered structures. Electron localization function calculation combined with charge density difference analysis indicate that there are covalent bonds between U and U atoms in both Fmmm-U4He and P-1-U6He. Compared with the elastic modulus of ${\alpha}$-U, the addition of helium has certain influence on the mechanical properties of uranium. Besides, first-principles molecular dynamics simulations were carried out to study the dynamical behavior of Fmmm-U4He and P-1-U6He at high-temperature. It is found that Fmmm-U4He and P-1-U6He undergo one-dimensional superionic phase transitions at 150 GPa. Our study revealed exotic structure of U-He compounds beyond the form of bubble under high-pressure and high-temperature, that might be relevant to the performance and safety issue of nuclear materials at extreme conditions.


[50] 2407.15181

Compliant Lattice Modulations Enable Anomalous Elasticity in Ni-Mn-Ga Martensite

High mobility of twin boundaries in modulated martensites of Ni-Mn-Ga-based ferromagnetic shape memory alloys holds a promise for unique magnetomechanical applications. This feature has not been fully understood so far, and in particular it has yet not been unveiled what makes the lattice mechanics of modulated Ni-Mn-Ga specifically different from other martensitic alloys. Here, results of dedicated laser-ultrasonic measurements on hierarchically twinned five-layer modulated (10 M) crystals fill this gap. Using a combination of transient grating spectroscopy and laser-baser resonant ultrasound spectroscopy, it is confirmed that there is a shear elastic instability in the lattice, being significantly stronger than in any other martensitic material and also than what the first-principles calculations for Ni-Mn-Ga predict. The experimental results reveal that the instability is directly related to the lattice modulations. A lattice-scale mechanism of dynamic faulting of the modulation sequence that explains this behavior is proposed; this mechanism can explain the extraordinary mobility of twin boundaries in 10 M.


[51] 2407.15214

Physical Encoding Improves OOD Performance in Deep Learning Materials Property Prediction

Deep learning (DL) models have been widely used in materials property prediction with great success, especially for properties with large datasets. However, the out-of-distribution (OOD) performances of such models are questionable, especially when the training set is not large enough. Here we showed that using physical encoding rather than the widely used one-hot encoding can significantly improve the OOD performance by increasing the models' generalization performance, which is especially true for models trained with small datasets. Our benchmark results of both composition- and structure-based deep learning models over six datasets including formation energy, band gap, refractive index, and elastic properties predictions demonstrated the importance of physical encoding to OOD generalization for models trained on small datasets.


[52] 2407.15242

Low-energy inter-band Kondo bound states in orbital-selective Mott phases

Low-energy excitations may manifest intricate behaviors of correlated electron systems and provide essential insights into the dynamics of quantum states and phase transitions. We study a two-orbital Hubbard model featuring the so-called holon-doublon low-energy excitations in the Mott insulating narrow band in the orbital-selective Mott phase (OSMP). We employ an improved dynamical mean-field theory (DMFT) technique to calculate the spectral functions at zero temperature. We show that the holon-doublon bound state is not the sole component of the low-energy excitations. Instead, it should be a bound state composed of a Kondo-like state in the wide band and a doublon in the narrow band, named inter-band Kondo-like (IBK) bound states. Notably, as the bandwidths of the two bands approach each other, we find anomalous IBK bound-state excitations in the metallic {\em wide} band.


[53] 2407.15253

Keldysh tuning of photoluminescence in a lead halide perovskite crystal

In 1964, Keldysh laid the groundwork for strong-field physics in atomic, molecular, and solid-state systems by delineating a ubiquitous transition from multiphoton absorption to quantum electron tunneling under intense AC driving forces. While both processes in semiconductors can generate carriers and result in photon emission through electron-hole recombination, the low quantum yields in most materials have hindered direct observation of the Keldysh crossover. Leveraging the large quantum yields of photoluminescence in lead halide perovskites, we show that we can not only induce bright light emission from extreme sub-bandgap light excitation but also distinguish between photon-induced and electric-field-induced processes. Our results are rationalized by the Landau-Dykhne formalism, providing insights into the non-equilibrium dynamics of strong-field light-matter interactions. These findings open new avenues for light upconversion and sub-bandgap photon detection, highlighting the potential of lead halide perovskites in advanced optoelectronic applications.


[54] 2407.15258

Optimizing ionic conductivity of lithium in Li$_7$PS$_6$ argyrodite via dopant engineering

Li-containing argyrodites represent a promising family of Li-ion conductors with several derived compounds exhibiting room-temperature ionic conductivity > 1 mS/cm and making them attractive as potential candidates as electrolytes in solid-state Li-ion batteries. Starting from the parent phase Li7PS6, several cation and anion substitution strategies have been attempted to increase the conductivity of Li ions. Nonetheless, a detailed understanding of the thermodynamics of native defects and doping of Li argyrodite and their effect on the ionic conductivity of Li is missing. Here, we report a comprehensive computational study of defect chemistry of the parent phase Li7PS6 in both intrinsic and extrinsic regimes, using a newly developed workflow to automate the computations of several defect formation energies in a thermodynamically consistent framework. Our findings agree with known experimental findings, rule out several unfavorable aliovalent dopants, narrowing down the potential promising candidates that can be tested experimentally. We also find that cation-anion co-doping can provide a powerful strategy to further optimize the composition of argyrodite. In particular, Si-F co-doping is predicted to be thermodynamically favorable; this could lead to the synthesis of the first F-doped Li-containing argyrodite. Finally, using DeePMD neural networks, we have mapped the ionic conductivity landscape as function of the concentration of the most promising cation and anion dopants identified from the defect calculations, and identified the most promising region in the compositional space with high Li conductivity that can be explored experimentally.


[55] 2407.15299

Energy Window Muffin Tin Orbitals (EWMTO) within the Atomic Sphere Approximation (ASA)

In this work we propose a new efficient basis for the electronic structure problem. The basis is based on the Muffin Tin Orbital (MTO) idea that the eigenstates of the Khon Sham (KS) Hamiltonian may we be expanded in terms of eigenstates of the spherically averaged KS Hamiltonian inside the so called Muffin Tin (MT) spheres and Bessel functions in the interstitial multiplied by appropriate spherical Harmonics. Here we use the fact that the solution to problem of finding the ground state electron density is most often done through an iterative process, where generically on the order of over 20 iterations are taken till the ground state electron density and energy converges to the lowest values allowed by the correlation and exchange functional for the fixed form of the external potential. We use eigenstate information from the previous convergence iteration to choose the energies of the eigenstates of the spherically averaged KS Hamiltonian. Furthermore within the Atomic Sphere Approximation (ASA) the energies of the Bessel functions do not matter as they are cancelled out. This is an efficient method aimed at studying the electronic structure of materials with large unit cells especially if they are of close packed form where ASA is particularly accurate.


[56] 2407.15314

Everyday electromechanics: Capacitive strong coupling to mechanical motion

We demonstrate a room temperature, all-electric device that reaches a strong coupling regime where external environmental coupling dominates over internal mechanical dissipation. The device has four orders of magnitude lower insertion loss than a comparable commercial quartz crystal, and achieves a position imprecision rivaling an optical interferometer. With the help of a back-action isolation scheme, we observe radiative cooling of mechanical motion by a remote cryogenic load.


[57] 2407.15319

Towards high spatial resolution magnetic imaging with a compact practical quantum diamond microscope

Widefield quantum diamond microscopy is a powerful technique for imaging magnetic fields with high sensitivity and spatial resolution. However, current methods to approach the ultimate spatial resolution ($<500\,$nm) are impractical for routine use as they require time-consuming fabrication or transfer techniques to precisely interface the diamond sensor with the sample to be imaged. To address this challenge, we have designed a co-axial sensor holder that enables simple, repeatable sensor-sample interfacing while being compatible with high numerical aperture (NA) optics. With our new design we demonstrate low standoffs $<500\,$nm with a millimetre sized sensor. We also explore the relationship between spatial resolution and NA spanning from 0.13 to 1.3. The spatial resolution shows good agreement with the optical diffraction limit at low NA but deviates at high NA, which is shown to be due to optical aberrations. Future improvements to our design are discussed, which should enable magnetic imaging with $<500\,$nm resolution in an accessible, easy-to-use instrument.


[58] 2407.15323

Effective medium theory for viscoelasticity of soft jammed solids

The viscoelastic properties of soft jammed solids, such as foams, emulsions, and soft colloids, have been the subject of experiments, with particular interest in the anomalous viscous loss. However, a microscopic theory to explain these experimental results is still lacking. Here, we develop an effective medium theory that incorporates the effects of contact damping. The theory explains experimentally observed viscoelastic properties, particularly attributing the anomalous viscous loss to marginal stability in amorphous systems. This work establishes a microscopic theory for describing the impact of damping on soft jammed solids and their viscoelastic behaviors.


[59] 2407.15331

Entanglement in quenched extended Su-Schrieffer-Heeger model with anomalous dynamical quantum phase transitions

Research on topological models unveils fascinating physics, especially in the realm of dynamical quantum phase transitions (DQPTs). However, the understanding of entanglement structures and properties near DQPT in models with longer-range hoppings is far from complete. In this work, we study DQPTs in the quenched extended Su-Schrieffer-Heeger (SSH) model. Anomalous DQPTs, where the number of critical momenta exceeds the winding number differences between the pre-quench and post-quench phases, are observed. We find that the entanglement exhibits local maximum (minimum) around the anomalous DQPTs, in line with the level crossings (separations) around the middle of the correlation matrix spectrum. We further categorize the phases in the equilibrium model into two classes and distinctive features in the time evolution of the entanglement involving quenches within and across the two classes are identified. The findings pave the way to a better understanding of topological models with longer-range hoppings in the out-of-equilibrium regime.


[60] 2407.15333

Beyond Boundaries: efficient Projected Entangled Pair States methods for periodic quantum systems

Projected Entangled Pair States (PEPS) are recognized as a potent tool for exploring two-dimensional quantum many-body systems. However, a significant challenge emerges when applying conventional PEPS methodologies to systems with periodic boundary conditions (PBC), attributed to the prohibitive computational scaling with the bond dimension. This has notably restricted the study of systems with complex boundary conditions. To address this challenge, we have developed a strategy that involves the superposition of PEPS with open boundary conditions (OBC) to treat systems with PBC. This approach significantly reduces the computational complexity of such systems while maintaining their translational invariance and the PBC. We benchmark this method against the Heisenberg model and the $J_1$-$J_2$ model, demonstrating its capability to yield highly accurate results at low computational costs, even for large system sizes. The techniques are adaptable to other boundary conditions, including cylindrical and twisted boundary conditions, and therefore significantly expands the application scope of the PEPS approach, shining new light on numerous applications.


[61] 2407.15336

Investigating Metal Dopants for Lowering the Contact Resistance of Top Gold Contacted Monolayer MoS2

The interface properties between gold (Au) contacts and molybdenum disulfide (MoS2) are critical for optimizing the performance of semiconductor devices. This study investigates the impact of metal dopants (D) on the transport properties of MoS2 devices with top Au contacts, aiming to reduce contact resistance and enhance device performance. Using density functional theory (DFT) and non-equilibrium Green's function (NEGF)- based first-principles calculations, we examine the structural, electronic, and quantum transport properties of Au-contacted, metal-doped MoS2. Our results indicate that Cd, Re, and Ru dopants significantly improve the structural stability and electronic properties of MoS2. Specifically, formation energy calculations show that Cd and Re are stable at hollow sites, while Ru prefers bond sites. Remarkably, Au-Ru-MoS2-based device exhibits tunnel resistance (RT ) up to 4.82 ohm-um. Furthermore, a dual-gated Au-Ru-MoS2 field effect transistor (FET) demonstrates an impressive Ion/Ioff ratio of 10^8 at Vgs of 2 V, highlighting its potential for nano-switching applications.


[62] 2407.15338

Revealing the molecular structures of a-Al2O3(0001)-water interface by machine learning based computational vibrational spectroscopy

Solid-water interfaces are crucial to many physical and chemical processes and are extensively studied using surface-specific sum-frequency generation (SFG) spectroscopy. To establish clear correlations between specific spectral signatures and distinct interfacial water structures, theoretical calculations using molecular dynamics (MD) simulations are required. These MD simulations typically need relatively long trajectories (a few nanoseconds) to achieve reliable SFG response function calculations via the dipole-polarizability time correlation function. However, the requirement for long trajectories limits the use of computationally expensive techniques such as ab initio MD (AIMD) simulations, particularly for complex solid-water interfaces. In this work, we present a pathway for calculating vibrational spectra (IR, Raman, SFG) of solid-water interfaces using machine learning (ML)-accelerated methods. We employ both the dipole moment-polarizability correlation function and the surface-specific velocity-velocity correlation function approaches to calculate SFG spectra. Our results demonstrate the successful acceleration of AIMD simulations and the calculation of SFG spectra using ML methods. This advancement provides an opportunity to calculate SFG spectra for the complicated solid-water systems more rapidly and at a lower computational cost with the aid of ML.


[63] 2407.15371

Nonequilibrium Membrane Dynamics Induced by Active Protein Interactions and Chemical Reactions: A Review

Biomembranes wrapping cells and organelles are not only the partitions that separate the insides but also dynamic fields for biological functions accompanied by membrane shape changes. In this review, we discuss the spatiotemporal patterns and fluctuations of membranes under nonequilibrium conditions. In particular, we focus on theoretical analyses and simulations. Protein active forces enhance or suppress the membrane fluctuations; the membrane height spectra are deviated from the thermal spectra. Protein binding or unbinding to the membrane is activated or inhibited by other proteins and chemical reactions, such as ATP hydrolysis. Such active binding processes can induce traveling waves, Turing patterns, and membrane morphological changes. They can be represented by the continuum reaction-diffusion equations and discrete lattice/particle models with state flips. The effects of structural changes in amphiphilic molecules on the molecular-assembly structures are also discussed.


[64] 2407.15404

Accurate estimation of interfacial thermal conductance between silicon and diamond enabled by a machine learning interatomic potential

Thermal management at silicon-diamond interface is critical for advancing high-performance electronic and optoelectronic devices. In this study, we calculate the interfacial thermal conductance between silicon and diamond using machine learning (ML) interatomic potentials trained on density functional theory (DFT) data. Using non-equilibrium molecular dynamics (NEMD) simulations, we compute the interfacial thermal conductance (ITC) for various system sizes. Our results show a closer agreement with experimental data than those obtained using traditional semi-empirical potentials such as Tersoff and Brenner which overestimate ITC by a factor of about 3. In addition, we analyze the frequency-dependent heat transfer spectrum, providing insights into the contributions of different phonon modes to the interfacial thermal conductance. The ML potential accurately captures the phonon dispersion relations and lifetimes, in good agreement with DFT calculations and experimental observations. It is shown that the Tersoff potential predicts higher phonon group velocities and phonon lifetimes compared to the DFT results. Furthermore, it predicts higher interfacial bonding strength, which is consistent with higher interfacial thermal conductance as compared to the ML potential. This study highlights the use of the ML interatomic potential to improve the accuracy and computational efficiency of thermal transport simulations in complex material systems.


[65] 2407.15405

Covariant currents and a thermodynamic uncertainty relation on curved manifolds

A framework for defining stochastic currents associated with diffusion processes on curved Riemannian manifolds is presented. This is achieved by introducing an overdamped Stratonovich-Langevin equation that remains fully covariant under non-linear transformations of state variables. The approach leads to a covariant extension of the thermodynamic uncertainty relation, describing a trade-off between the total entropy production rate and thermodynamic precision associated with short-time currents in curved spaces and arbitrary coordinate systems.


[66] 2407.15436

Non-monotonic constitutive curves and shear banding in dry and wet granular flows

We use particle simulations to map comprehensively the shear rheology of dry and wet granular matter, in both fixed pressure and fixed volume protocols. At fixed pressure we find non-monotonic constitutive curves that are shear thinning, whereas at fixed volume we find non-monotonic constitutive curves that are shear thickening. We show that the presence of one non-monotonicity does not imply the other. Instead, there exists a signature in the volume fraction measured under fixed pressure that, when present, ensures non-monotonic constitutive curves at fixed volume. In the context of dry granular flow we show that gradient and vorticity bands arise under fixed pressure and volume respectively, as implied by the constitutive curves. For wet systems our results are consistent with a recent experimental observation of shear thinning at fixed pressure. We furthermore predict discontinuous shear thickening in the absence of critical load friction.


[67] 2407.15490

Rb2Ti2O5 : a layered ionic conductor at the sub-micrometer scale

Over the past few years, ionic conductors have gained a lot of attention given the possibility to implement them in various applications such as supercapacitors, batteries or fuel cells as well as for resistive memories. Especially, layered two-dimensional (2D) crystals such as h-BN, graphene oxide and MoSe2 have shown to provide unique properties originating from the specific 2D confinement of moving ions. Two important parameters are the ion conductivity and the chemical stability over a wide range of operating conditions. In this vein, Rb2Ti2O5 has been recently found displaying remarkable properties such as superionic conduction and colossal equivalent dielectric constant. Here, a first approach to the study of the electrical properties of layered Rb2Ti2O5 at the 100-nanometer scale is presented. Characterizations by means of micro-Raman spectroscopy and atomic force microscope (AFM) measurements of mechanically exfoliated RTO nanocrystals via the so-called adhesive-tape technique are reported. Finally, the results of electrical measurements performed on an exfoliated RTO nanocrystals are presented, and are found to be consistent with the results obtained on macroscopic crystals. 4


[68] 2407.15497

New renormalization group study of the 3-state Potts model and related statistical models

The critical behavior of three-state statistical models invariant under the full symmetry group $S_3$ and its dependence on space dimension have been a matter of interest and debate. In particular, the phase transition of the 3-state Potts model in three dimensions is believed to be of the first order, without a definitive proof of absence of scale invariance in three-dimensional field theory with $S_3$ symmetry. This scale invariance should appear as a non-trivial fixed point of the renormalization group, which has not been found. Our new search, with the non-perturbative renormalization group, finds such a fixed point, as a bifurcation from the trivial fixed point at the critical space dimension $d=10/3$, which extends continuously to $d=3$. It does not correspond to a second-order phase transition of the 3-state Potts model, but is interesting in its own right. In particular, it shows how the $\varepsilon$-expansion can fail.


[69] 2407.15513

Optical Micromanipulation of Soft Materials: Applications in Devices and Technologies

Since its invention by Arthur Ashkin and colleagues at Bell Labs in the 1970s, optical micromanipulation, also known as optical tweezers or laser tweezers, has evolved remarkably to become one of the most convenient and versatile tools for studying soft materials, including biological systems. Arthur Ashkin received the Nobel Prize in Physics in 2018 for enabling these extraordinary scientific advancements. Essentially, a focused laser beam is used to apply and measure minuscule forces from a few piconewtons to femtonewtons by utilizing light-matter interaction at mesoscopic length scales. Combined with advanced microscopy and position-sensing techniques, optical micromanipulations enable us to investigate diverse aspects of functional soft materials. These include studying mechanical responses through force-elongation measurements, examining the structural properties of complex fluids employing microrheology, analyzing chemical compositions using spectroscopy, and sorting cells through single-cell analysis. Furthermore, it is utilized in various soft-matter-based devices, such as laser scissors and optical motors in microfluidic channels. This chapter presents an overview of optical micromanipulation techniques by describing fundamental theories and explaining the design considerations of conventional single-trap and dual-trap setups as well as recent improvisations. We further discuss their capabilities and applications in probing exotic soft-matter systems and in developing widely utilized devices and technologies based on functional soft materials.


[70] 2407.15534

One-dimensional quantum dot array integrated with charge sensors in an InAs nanowire

We report an experimental study of a one-dimensional quintuple-quantum-dot array integrated with two quantum dot charge sensors in an InAs nanowire. The device is studied by measuring double quantum dots formed consecutively in the array and corresponding charge stability diagrams are revealed with both direct current measurements and charge sensor signals. The one-dimensional quintuple-quantum-dot array are then tuned up and its charge configurations are fully mapped out with the two charge sensors. The energy level of each dot in the array can be controlled individually by using a compensated gate architecture (i.e., "virtual gate"). After that, four dots in the array are selected to form two double quantum dots and ultra strong inter-double-dot interaction is obtained. A theoretical simulation based on a 4-dimensional Hamiltonian confirms the strong coupling strength between the two double quantum dots. The highly controllable one-dimensional quantum dot array achieved in this work is expected to be valuable for employing InAs nanowires to construct advanced quantum hardware in the future.


[71] 2407.15552

Viologen-based supramolecular crystal gels: gelation kinetics and sensitivity to temperature

Supramolecular crystal gels, a subset of molecular gels, form through self-assembly of low molecular weight gelators into interconnecting crystalline fibers, creating a three-dimensional soft solid network. This study focuses on the formation and properties of viologen-based supramolecular crystalline gels. It aims to answer key questions about the tunability of network properties and the origin of these properties through in-depth analyses of the gelation kinetics triggered by thermal quenching. Experimental investigations, including UV-Vis absorption spectroscopy, rheology, microscopy and scattering measurements, contribute to a comprehensive and self-consistent understanding of the system kinetics. We confirm that the viologen-based gelators crystallize into nanometer radius hollow tubes that assemble into micro to millimetric spherulites. We then show that the crystallization follows the Avrami theory and is based on pre-existing nuclei. We also establish that the growth is interface controlled leading to the hollow tubes to branch into spherulites with fractal structures. Finally, we demonstrate that the gel properties can be tuned depending on the quenching temperature. Lowering the temperature results in the formation of denser and smaller spherulites. In contrast, the gels elasticity is not significantly affected by the quench temperature, leading us to hypothesize that the spherulites densification occurs at the expense of the connectivity between spherulite.


[72] 2407.15558

Retinomorphic Feature Detection and Machine Vision in a Network Laser

Biological vision systems seamlessly integrate feature-sensitive spatial processing and strong nonlinearity. The retina performs feature detection via ganglion cells, which nonlinearly enhance image features such as edges through lateral inhibition processes between neighbouring cells. As demand for specialised machine learning hardware increases, physical systems are sought which combine feature detection with the nonlinear processing required for tasks such as image classification. Currently, physical machine vision schemes detect features linearly, then employ separate digital systems for subsequent nonlinear activation. Here, we introduce a bio-inspired 'retinomorphic' machine vision platform using a semiconductor network laser. The system hosts many spatially-overlapping lasing modes which detect multiple image features in parallel via their lasing amplitude. Integrated nonlinearity is provided by antagonistic competition for gain between modes - a photonic analogue of the lateral inhibition in retinal cells. Detected feature maps are fed back through the system, providing multi-layer image classification with intrinsic nonlinear processing. Accuracies of 98.05% and 87.85% are achieved for MNIST digits and Fashion-MNIST tasks respectively.


[73] 2407.15573

Machine Learning-Enhanced Design of Lead-Free Halide Perovskite Materials Using Density Functional Theory

The investigation of emerging non-toxic perovskite materials has been undertaken to advance the fabrication of environmentally sustainable lead-free perovskite solar cells. This study introduces a machine learning methodology aimed at predicting innovative halide perovskite materials that hold promise for use in photovoltaic applications. The seven newly predicted materials are as follows: CsMnCl$_4$, Rb$_3$Mn$_2$Cl$_9$, Rb$_4$MnCl$_6$, Rb$_3$MnCl$_5$, RbMn$_2$Cl$_7$, RbMn$_4$Cl$_9$, and CsIn$_2$Cl$_7$. The predicted compounds are first screened using a machine learning approach, and their validity is subsequently verified through density functional theory calculations. CsMnCl$_4$ is notable among them, displaying a bandgap of 1.37 eV, falling within the Shockley-Queisser limit, making it suitable for photovoltaic applications. Through the integration of machine learning and density functional theory, this study presents a methodology that is more effective and thorough for the discovery and design of materials.


[74] 2407.15597

Terahertz and gigahertz magneto-ratchets in graphene-based 2D metamaterials

We report on the observation and study of the magneto-ratchet effect in a graphene-based two-dimensional metamaterial formed by a graphite gate that is placed below a graphene monolayer and patterned with an array of triangular antidots. We demonstrate that terahertz/gigahertz excitation of the metamaterial leads to sign-alternating magneto-oscillations with an amplitude that exceeds the ratchet current at zero magnetic field by orders of magnitude. The oscillations are shown to be related to the Shubnikov-de Haas effect. In addition to the giant ratchet current oscillations we detect resonant ratchet currents caused by the cyclotron and electron spin resonances. The results are well described by the developed theory considering the magneto-ratchet effect caused by the interplay of the near-field radiation and the nonuniform periodic electrostatic potential of the metamaterial controlled by the gate voltages.


[75] 2407.15609

Time evolution of the local density of states of strongly correlated fermions coupled to a nanoprobe

We study the time evolution of a one-dimensional system of strongly correlated electrons (a 'sample') that is suddenly coupled to a smaller, initially empty system (a 'nanoprobe'), which can subsequently move along the system. Our purpose here is to study the role of interactions in this model system when it is far from equilibrium. We therefore take both the sample and the nanoprobe to be described by a Hubbard model with on-site repulsive interactions and nearest-neighbor hopping. We compute the behavior of the local particle density and the local density of states (LDOS) as a function of time using time-dependent matrix product states at quarter and at half filling, fillings at which the chain realizes a Luttinger liquid or a Mott insulator, respectively. This allows us to study in detail the oscillation of the particles between the sample and the nanoprobe. While, for noninteracting systems, the LDOS is time-independent, in the presence of interactions, the backflow of electrons to the sample will lead to nontrivial dynamics in the LDOS. In particular, studying the time-dependent LDOS allows us to study how the Mott gap closes locally and how this melting of the Mott insulator propagates through the system in time after such a local perturbation -- a behavior that we envisage can be investigated in future experiments on ultrashort time scales or on optical lattices using microscopy setups.


[76] 2407.15634

Kardar-Parisi-Zhang universality class in the synchronization of oscillator lattices with time-dependent noise

Systems of oscillators subject to time-dependent noise typically achieve synchronization for long times when their mutual coupling is sufficiently strong. The dynamical process whereby synchronization is reached can be thought of as a growth process in which an interface formed by the local phase field gradually roughens and eventually saturates. Such a process is here shown to display the generic scale invariance of the one-dimensional Kardar-Parisi-Zhang universality class, including a Tracy-Widom probability distribution for phase fluctuations around their mean. This is revealed by numerical explorations of a variety of oscillator systems: rings of generic phase oscillators and rings of paradigmatic limit-cycle oscillators, like Stuart-Landau and van der Pol. It also agrees with analytical expectations derived under conditions of strong mutual coupling. The nonequilibrium critical behavior that we find is robust and transcends the details of the oscillators considered. Hence, it may well be accessible to experimental ensembles of oscillators in the presence of e.g. thermal noise.


[77] 2407.15649

Polarons shape the interlayer exciton emission of MoSe$_2$/WSe$_2$ heterobilayers

We present time-resolved and CW optical spectroscopy studies of interlayer excitons (IXs) in 2$H-$ and 3$R-$stacked MoSe$_2$/WSe$_2$ heterobilayers and obtain evidence for the strong participation of hot phonons in the underlying photo-physics. Photoluminescence excitation spectroscopy reveals that excess energy associated with optical excitation of \textit{intra}-layer excitons and relaxation to IXs affects the overall IX-PL lineshape, while the spectrally narrow emission lines conventionally associated with moir\'e IXs are unaffected. A striking uniform line-spacing of the sharp emission lines is observed together with temperature and excitation level dependent spectra suggesting an entirely new picture that photo-generated phonons lead to phonon-replicas shaping the IX-emission. Excitation power and time resolved data indicate that these features are polaronic in nature. Our experimental findings modify our current understanding of the photophysics of IXs beyond current interpretations based on moir\'e-trapped IXs.


[78] 2407.15657

Anisotropic magnetic interactions in a candidate Kitaev spin liquid close to a metal-insulator transition

In the Kitaev honeycomb model, spins coupled by strongly-frustrated anisotropic interactions do not order at low temperature but instead form a quantum spin liquid with spin fractionalization into Majorana fermions and static fluxes. The realization of such a model in crystalline materials could lead to major breakthroughs in understanding entangled quantum states, however achieving this in practice is a very challenging task. The recently synthesized honeycomb material RuI$_3$ shows no long-range magnetic order down to the lowest probed temperatures and has been theoretically proposed as a quantum spin liquid candidate material on the verge of an insulator to metal transition. Here we report a comprehensive study of the magnetic anisotropy in un-twinned single crystals via torque magnetometry and detect clear signatures of strongly anisotropic and frustrated magnetic interactions. We attribute the development of sawtooth and six-fold torque signal to strongly anisotropic, bond-dependent magnetic interactions by comparing to theoretical calculations. As a function of magnetic field strength at low temperatures, torque shows an unusual non-parabolic dependence suggestive of a proximity to a field-induced transition. Thus, RuI$_3$, without signatures of long-range magnetic order, displays key hallmarks of an exciting new candidate for extended Kitaev magnetism with enhanced quantum fluctuations.


[79] 2407.15658

Anisotropy of the zigzag order in the Kitaev honeycomb magnet $α$-RuBr$_3$

Kitaev materials often order magnetically at low temperatures due to the presence of non-Kitaev interactions. Torque magnetometry is a very sensitive technique for probing the magnetic anisotropy, which is critical in understanding the magnetic ground state. In this work, we report detailed single-crystal torque measurements in the proposed Kitaev candidate honeycomb magnet $\alpha$-RuBr$_3$, which displays zigzag order below 34 K. Based on angular-dependent torque studies in magnetic fields up to 16 T rotated in the plane normal to the honeycomb layers, we find an easy-plane anisotropy with a temperature dependence of the torque amplitude following closely the behaviour of the powder magnetic susceptibility. The torque for field rotated in the honeycomb plane has a clear six-fold periodicity with a saw-tooth shape, reflecting the three-fold symmetry of the crystal structure and stabilization of different zigzag domains depending on the field orientation, with a torque amplitude that follows an order parameter form inside the zigzag phase. By comparing experimental data with theoretical calculations we identify the relevant anisotropic interactions and the role of the competition between different zigzag domains in this candidate Kitaev material.


[80] 2407.15659

Coupled dynamics in binary mixtures of colloidal Yukawa systems

The dynamical behavior of binary mixtures consisting of highly charged colloidal particles is studied by means of Brownian dynamics simulations. We investigate differently sized, but identically charged particles with nearly identical interactions between all species in highly dilute suspensions. Different short-time self-diffusion coefficients induce, mediated by electrostatic interactions, a coupling of both self and collective dynamics of differently sized particles: The long-time self-diffusion coefficients of a larger species are increased by the presence of a more mobile, smaller species and vice versa. Similar coupling effects are observed in collective dynamics where in addition to the time constant of intermediate scattering function's initial decay its functional form, quantified by exponents of a stretched exponential decay, are influenced by the presence of a differently sized species. We provide a systematic analysis of coupling effects in dependence on the ratio of sizes, number densities, and the strength of electrostatic interactions.


[81] 2407.15678

Minimal-work protocols for inertial particles in non-harmonic traps

The progress of miniaturized technology allows controlling physical systems at nanoscale with remarkable precision in regimes where thermal fluctuations are non-negligible. Experimental advancements have sparked interest in control problems in stochastic thermodynamics, typically concerning a time-dependent potential applied to a nanoparticle to reach a target stationary state in a given time with minimal energy cost. We study this problem for a particle subject to thermal fluctuations in a regime that takes into account the effects of inertia, and, building on the results of [1], provide a numerical method to find optimal controls even for non-Gaussian initial and final conditions corresponding to non-harmonic confinements. We show that the momentum mean tends to a constant value along the trajectory except at the boundary and the evolution of the variance is non-trivial. Our results also support that the lower bound on the optimal entropy production computed from the overdamped case is tight in the adiabatic limit.


[82] 2407.15682

Comment on "Reconsidering the nonlinear emergent inductance: time-varying Joule heating and its impact on the AC electrical response"

When non-collinear spin textures are driven by current, an emergent electric field arises due to the emergent electromagnetic induction. So far, this phenomenon has been reported in several materials, manifesting the current-nonlinear imaginary part of the complex impedance. Recently, Furuta et al. proposed a time-varying temperature increase due to Joule heating as an alternative explanation for these current-nonlinear complex impedances [arXiv:2407.00309v1]. In this study, we re-examine the nonlinear complex impedance in GdRuAl12 and YMn6Sn6, specifically addressing the impact of the time-varying temperature increase. Our findings reveal that the magnetic-field angle, frequency, and temperature dependence of nonlinear complex impedances in these two materials cannot be explained by the time-varying temperature increase. Instead, these dependencies of the imaginary part of the nonlinear impedance are consistent with the expected behaviour in the theory of emergent electromagnetic induction. Moreover, we observe a significant real part of the nonlinear complex impedance, likely resulting from the dissipation associated with the current-driven motion of helices and domain walls. Our findings highlight the diverse current-nonlinear transport phenomena of spin dynamical origin in helimagnets.


[83] 2407.15692

Impact of electron correlations on two-particle charge response in electron- and hole-doped cuprates

Estimating many-body effects that deviate from an independent particle approach, has long been a key research interest in condensed matter physics. Layered cuprates are prototypical systems, where electron-electron interactions are found to strongly affect the dynamics of single-particle excitations. It is however, still unclear how the electron correlations influence charge excitations, such as plasmons, which have been variously treated with either weak or strong correlation models. In this work, we demonstrate the hybridised nature of collective valence charge fluctuations leading to dispersing acoustic-like plasmons in hole-doped La$_{1.84}$Sr$_{0.16}$CuO$_{4}$ and electron-doped La$_{1.84}$Ce$_{0.16}$CuO$_{4}$ using the two-particle probe, resonant inelastic x-ray scattering. We then describe the plasmon dispersions in both systems, within both the weak mean-field Random Phase Approximation (RPA) and strong coupling $t$-$J$-$V$ models. The $t$-$J$-$V$ model, which includes the correlation effects implicitly, accurately describes the plasmon dispersions as resonant excitations outside the single-particle intra-band continuum. In comparison, a quantitative description of the plasmon dispersion in the RPA approach is obtained only upon explicit consideration of re-normalized electronic band parameters. Our comparative analysis shows that electron correlations significantly impact the low-energy plasmon excitations across the cuprate doping phase diagram, even at long wavelengths. Thus, complementary information on the evolution of electron correlations, influenced by the rich electronic phases in condensed matter systems, can be extracted through the study of two-particle charge response.


[84] 2407.15705

Chiral Gapless Spin Liquid in Hyperbolic Space

We analyze the Kitaev model on the $\{9,3\}$ hyperbolic lattice. The $\{9,3\}$ is formed by a regular 3-coordinated tiling of nonagons, where the 3-color coding of bonds according to the inequivalent Kitaev Ising spin couplings yields the natural generalization of the original Kitaev model for Euclidean regular honeycomb tiling. Upon investigation of the bulk spectrum for large finite size droplets, we identify a gapless chiral $\mathbb{Z}_2$ spin liquid state featuring spontaneous time reversal symmetry breaking. Due to its non-commutative translation group structure, such type of hyperbolic spin liquid is conjectured to feature chiral quasiparticles with a potentially non-Abelian Bloch profile.


[85] 2407.15709

Exciton-polariton stimulated scattering in hybrid halide perovskites

Halide perovskites, such as methylammonium lead bromide (MAPbBr$_3$), host tightly bound three-dimensional excitons which are robust at room temperature. Excellent optical properties of MAPbBr$_3$ allow for designing of optical single-mode waveguides and cavities in the frequency range close to the excitonic transitions. Taken together, this turns MAPbBr$_3$ into an excellent platform for probing exciton-polariton nonlinear phenomena at room temperature. Here we investigate ultrafast non-equilibrium dynamics of polaritons under pulsed fs non-resonant excitation. We demonstrate the presence of the stimulated acoustic phonon-assisted scattering regime above threshold pump fluence, characterized by the explosive growth of emission intensity, a redshift of the emission spectral maximum, spectral narrowing, and sub-picosecond emission dynamics. Our theoretical findings are well confirmed by the results of experimental measurements.


[86] 2407.15710

Topological floating phase of dipolar bosons in an optical ladder

Ultracold dipolar hard-core bosons in optical ladders provide exciting possibilities for the quantum simulation of anisotropic XXZ spin ladders. We show that introducing a tilt along the rungs results in a rich phase diagram at unit filling. In particular, for a sufficiently strong dipolar strength, the interplay between the long-range tail of the dipolar interactions and the tilting leads to the emergence of a quantum floating phase, a critical phase with incommensurate density-density correlations. Interestingly, the study of the entanglement spectrum, reveals that the floating phase is topological, constituting an intermediate gapless stage in the melting of a crystal into a gapped topological Haldane phase. This novel scenario for topological floating phases in dipolar XXZ ladders can be investigated in on-going experiments.


[87] 2407.15725

A backgate for enhanced tunability of holes in planar germanium

Planar semiconductor heterostructures offer versatile device designs and are promising candidates for scalable quantum computing. Notably, heterostructures based on strained germanium have been extensively studied in recent years, with emphasis on their strong and tunable spin-orbit interaction, low effective mass, and high hole mobility. However, planar systems are still limited by the fact that the shape of the confinement potential is directly related to the density. In this work, we present the successful implementation of a backgate for a planar germanium heterostructure. The backgate, in combination with a topgate, enables independent control over the density and the electric field, which determines important state properties such as the effective mass, the $g$-factor and the quantum lifetime. This unparalleled degree of control paves the way towards engineering qubit properties and facilitates the targetted tuning of bilayer quantum wells, which promise denser qubit packing.


[88] 2407.15741

A robust, fiber-coupled scanning probe magnetometer using electron spins at the tip of a diamond nanobeam

Fiber-coupled sensors are well suited for sensing and microscopy in hard-to-reach environments such as biological or cryogenic systems. We demonstrate fiber-based magnetic imaging based on nitrogen-vacancy (NV) sensor spins at the tip of a fiber-coupled diamond nanobeam. We incorporated angled ion implantation into the nanobeam fabrication process to realize a small ensemble of NV spins at the nanobeam tip. By gluing the nanobeam to a tapered fiber, we created a robust and transportable probe with optimized optical coupling efficiency. We demonstrate the imaging capability of the fiber-coupled nanobeam by measuring the magnetic field generated by a current-carrying wire. With its robust coupling and efficient readout at the fiber-coupled interface, our probe could allow new studies of (quantum) materials and biological samples.


[89] 2407.15750

Unified Description of Charge Density Waves in Electron- and Hole-doped Cuprate Superconductors

High-temperature cuprates superconductors are characterised by the complex interplay between superconductivity (SC) and charge density wave (CDW) in the context of intertwined competing orders. In contrast to abundant studies for hole-doped cuprates, the exact nature of CDW and its relationship to SC was much less explored in electron-doped counterparts. Here, we performed resonant inelastic x-ray scattering (RIXS) experiments to investigate the relationship between CDW and SC in electron-doped La$_{2-x}$Ce$_x$CuO$_4$. The short-range CDW order with a correlation length $\sim35$~\AA~was found in a wide range of temperature and doping concentration. Near the optimal doping, the CDW order is weakened inside the SC phase, implying an intimate relationship between the two orders. This interplay has been commonly reported in hole-doped La-based cuprates near the optimal doping. We reconciled the diverging behaviour of CDW across the superconducting phase in various cuprate materials by introducing the CDW correlation length as a key parameter. Our study paves the way for establishing a unified picture to describe the phenomenology of CDW and its relationship with SC in the cuprate family.


[90] 2407.15778

Violating Bell's inequality in gate-defined quantum dots

The superior computational power promised by quantum computers utilises the fundamental quantum mechanical principle of entanglement. However, achieving entanglement and verifying that the generated state does not follow the principle of local causality has proven difficult for spin qubits in gate-defined quantum dots, as it requires simultaneously high concurrence values and readout fidelities to break the classical bound imposed by Bell's inequality. Here we employ advanced operational protocols for spin qubits in silicon, such as heralded initialization and calibration via gate set tomography (GST), to reduce all relevant errors and push the fidelities of the full 2-qubit gate set above 99%. We demonstrate a 97.17% Bell state fidelity without correcting for readout errors and violate Bell's inequality with a Bell signal of S = 2.731 close to the theoretical maximum of 2{\sqrt{2}}. Our measurements exceed the classical limit even at elevated temperatures of 1.1K or entanglement lifetimes of 100 {\mu}s.


[91] 2407.15789

Flux-mediated effective Su-Schrieffer-Heeger model in an impurity decorated diamond chain

In flat-band systems with non-orthogonal compact localized states (CLSs), onsite perturbations couple neighboring CLSs and generate exponentially-decaying impurity states, whose degree of localization depends on lattice parameters. In this work, a diamond chain with constant magnetic flux per plaquette is decorated with several controlled onsite impurities in a patterned arrangement, generating an effective system that emerges from the flat band. The coupling distribution of the effective system is determined by the relative distance between impurities and the value of the flux, which can be chosen to engineer a wide variety of models. We employ a staggered distribution of impurities that effectively produces the well-known Su-Schrieffer-Heeger model, and show that the topological edge states display an enhanced robustness to non-chiral disorder due to an averaging effect over their extension. Finally, we provide a route to implement the system experimentally using optical waveguides that guide orbital angular momentum (OAM) modes. This work opens the way for the design of topologically protected impurity states in other flat-band systems or physical platforms with non-orthogonal bases.


[92] 2407.15790

Fermi arcs dominating the electronic surface properties of trigonal PtBi$_2$

Materials combining topologically non-trivial behavior and superconductivity offer a potential route for quantum computation. However, the set of available materials intrinsically realizing these properties are scarce. Recently, surface superconductivity has been reported in PtBi$_2$ in its trigonal phase and an inherent Weyl semimetal phase has been predicted. Here, based on scanning tunneling microscopy experiments, we reveal the signature of topological Fermi arcs in the normal state patterns of the quasiparticle interference. We show that the scattering between Fermi arcs dominates the interference spectra, providing conclusive evidence for the relevance of Weyl fermiology for the surface electronic properties of trigonal PtBi$_2$.


[93] 2407.15796

Weight update in ferroelectric memristors with identical and non-identical pulses

Ferroelectric tunnel junctions (FTJs) are a class of memristor which promise low-power, scalable, field-driven analog operation. In order to harness their full potential, operation with identical pulses is targeted. In this paper, several weight update schemes for FTJs are investigated, using either non-identical or identical pulses, and with time delays between the pulses ranging from 1 us to 10 s. Experimentally, a method for achieving non-linear weight update with identical pulses at long programming delays is demonstrated by limiting the switching current via a series resistor. Simulations show that this concept can be expanded to achieve weight update in a 1T1C cell by limiting the switching current through a transistor operating in sub-threshold or saturation mode. This leads to a maximum linearity in the weight update of 87%. The scaling behaviour of this scheme as devices are reduced to the sub-micron range is investigated, and the linearity slightly reduces in scaled devices to a maximum of 81%. The origin of the remaining non-linearity is discussed, as well as how this can be overcome.


[94] 2407.15801

Selection pressure/Noise driven cooperative behaviour in the thermodynamic limit of repeated games

Consider the scenario where an infinite number of players (i.e., the \textit{thermodynamic} limit) find themselves in a Prisoner's dilemma type situation, in a \textit{repeated} setting. Is it reasonable to anticipate that, in these circumstances, cooperation will emerge? This paper addresses this question by examining the emergence of cooperative behaviour, in the presence of \textit{noise} (or, under \textit{selection pressure}), in repeated Prisoner's Dilemma games, involving strategies such as \textit{Tit-for-Tat}, \textit{Always Defect}, \textit{GRIM}, \textit{Win-Stay, Lose-Shift}, and others. To analyze these games, we employ a numerical Agent-Based Model (ABM) and compare it with the analytical Nash Equilibrium Mapping (NEM) technique, both based on the \textit{1D}-Ising chain. We use \textit{game magnetization} as an indicator of cooperative behaviour. A significant finding is that for some repeated games, a discontinuity in the game magnetization indicates a \textit{first}-order \textit{selection pressure/noise}-driven phase transition. The phase transition is particular to strategies where players do not severely punish a single defection. We also observe that in these particular cases, the phase transition critically depends on the number of \textit{rounds} the game is played in the thermodynamic limit. For all five games, we find that both ABM and NEM, in conjunction with game magnetization, provide crucial inputs on how cooperative behaviour can emerge in an infinite-player repeated Prisoner's dilemma game.


[95] 2407.15834

Structured light and induced vorticity in superconductors I: Linearly polarized light

We propose an approach to use linearly polarized light to imprint superconducting vortices. Within the framework of the generalized time-dependent Ginzburg-Landau equations we demonstrate the induction of the coherent vortex pairs that are moving in phase with electormagnetic wave oscillations. The overall vorticity of the superconductor remain zero throughout the cycle. Our results uncover rich multiscale dynamics of SC vorticity and suggest new optical applications for various types of structured light.


[96] 2407.15836

Nonlinear Magnetoelectric Effect under Magnetic Octupole Order: Its Application to a $d$-Wave Altermagnet and a Pyrochlore Lattice with All-In/All-Out Magnetic Order

Extensive investigation has recently been conducted into a new class of antiferromagnetic order known as magnetic octupole order. This order may be concealed due to its higher-rank multipole, making it difficult to detect and manipulate it by using conventional methods such as the anomalous Hall effect. In this paper, we propose the nonlinear magnetoelectric effect (NMEE) as a technique that can detect and manipulate magnetic octupole order because of identical symmetry constraints. To demonstrate this point, we first classify the magnetic point groups in terms of magnetic multipoles to identify magnets, with the lowest-rank multipoles being magnetic octupoles, and reveal many candidate systems. We then derive the NMEE tensor by using quantum kinetic theory and show its relation to quantum geometric properties. Finally, we calculate the NMEE in two antiferromagnets where the lowest-rank nonvanishing multipole is the magnetic octupole. Specifically, we focus on a $d$-wave altermagnet and a pyrochlore lattice with all-in/all-out magnetic order, revealing an enhancement of the NMEE by Weyl points. Finally, we discuss experimental realization and show that the NMEE has a sizeable value that can be detected by the magneto-optical Kerr effect.


[97] 2407.14590

Quantum sensing in an exciton-polariton condensate

The extreme sensitivity of critical systems has been explored to improve quantum sensing and weak signal detection. The closing of the energy gap and abrupt change in the nature of the ground state at a quantum phase transition (QPT) critical point enhance indicators of parameter estimation, such as the quantum Fischer information. Here, we show that even if the system lacks a QPT, the quantum Fischer information can still be amplified due to the presence of an excited-state quantum phase transition (ESQPT). This is shown for a light-driven anharmonic quantum oscillator model that describes the low-lying spectrum of an exciton-polariton condensate proposed as a platform for quantum computation. In the classical limit, the ESQPT translates into the emergence of a hyperbolic point that explains the clustering of the energy levels at the vicinity of the ESQPT and the changed structure of the corresponding eigenstates, justifying the enhanced sensitivity of the system. Our study showcases the relationship between non-conventional quantum critical phenomena and quantum sensing with potential experimental applications in exciton-polariton systems.


[98] 2407.14613

Cavity-Born Oppenheimer Approximation for Molecules and Materials via Electric Field Response

We present an ab initio method for computing vibro-polariton and phonon-polariton spectra of molecules and solids coupled to the photon modes of optical cavities. We demonstrate that if interactions of cavity photon modes with both nuclear and electronic degrees of freedom are treated on the level of the cavity Born-Oppenheimer approximation (CBOA), spectra can be expressed in terms of the matter response to electric fields and nuclear displacements which are readily available in standard density functional perturbation theory (DFPT) implementations. In this framework, results over a range of cavity parameters can be obtained without the need for additional electronic structure calculations, enabling efficient calculations on a wide range of parameters. Furthermore, this approach enables results to be more readily interpreted in terms of the more familiar cavity-independent molecular electric field response properties, such as polarizability and Born effective charges which enter into the vibro-polariton calculation. Using corresponding electric field response properties of bulk insulating systems, we are also able to obtain $\Gamma$ point phonon-polariton spectra of two dimensional (2D) insulators. Results for a selection of cavity-coupled molecular and 2D crystal systems are presented to demonstrate the method.


[99] 2407.14633

ELEQTRONeX: A GPU-Accelerated Exascale Framework for Non-Equilibrium Quantum Transport in Nanomaterials

Non-equilibrium electronic quantum transport is crucial for the operation of existing and envisioned electronic, optoelectronic, and spintronic devices. The ultimate goal of encompassing atomistic to mesoscopic length scales in the same nonequilibrium device simulation approach has traditionally been challenging due to the computational cost of high-fidelity coupled multiphysics and multiscale requirements. In this work, we present ELEQTRONeX (ELEctrostatic Quantum TRansport modeling Of Nanomaterials at eXascale), a massively-parallel GPU-accelerated framework for self-consistently solving the nonequilibrium Green's function formalism and electrostatics in complex device geometries. By customizing algorithms for GPU multithreading, we achieve orders of magnitude improvement in computational time, and excellent scaling on up to 512 GPUs and billions of spatial grid cells. We validate our code by computing band structures, current-voltage characteristics, conductance, and drain-induced barrier lowering for various 3D configurations of carbon nanotube field-effect transistors. We also demonstrate that ELEQTRONeX is suitable for complex device/material geometries where periodic approaches are not feasible, such as modeling of arrays of misaligned carbon nanotubes requiring fully 3D simulations.


[100] 2407.14891

Strong-Coupling Extrapolation of Gell-Mann--Low Functions

Gell-Mann-Low functions can be calculated by means of perturbation theory and expressed as truncated series in powers of asymptotically small coupling parameters. However, it is necessary to know there behavior at finite values of the parameter and, moreover, their behavior at asymptotically large coupling parameters is also important. The problem of extrapolation of weak-coupling expansions to the region of finite and even infinite coupling parameters is considered. A method is suggested allowing for such an extrapolation. The basics of the method are described and illustrations of its applications are given for the examples where its accuracy and convergence can be checked. It is shown that in some cases the method allows for the exact reconstruction of the whole functions from their weak-coupling asymptotic expansions. Gell-Mann-Low functions in multicomponent field theory, quantum electrodynamics, and quantum chromodynamics are extrapolated to their strong-coupling limits.


[101] 2407.14946

Microstructure-Dependent Particulate Filtration using Multifunctional Metallic Nanowire Foams

The COVID-19 pandemic has shown the urgent need for the development of efficient, durable, reusable and recyclable filtration media for the deep-submicron size range. Here we demonstrate a multifunctional filtration platform using porous metallic nanowire foams that are efficient, robust, antimicrobial, and reusable, with the potential to further guard against multiple hazards. We have investigated the foam microstructures, detailing how the growth parameters influence the overall surface area and characteristic feature size, as well as the effects of the microstructures on the filtration performance. Nanogranules deposited on the nanowires during electrodeposition are found to greatly increase the surface area, up to 20 m$^{2}$/g. Surprisingly, in the high surface area regime, the overall surface area gained from the nanogranules has little correlation with the improvement in capture efficiency. However, nanowire density and diameter play a significant role in the capture efficiency of PM$_{0.3}$ particles, as do the surface roughness of the nanowire fibers and their characteristic feature sizes. Antimicrobial tests on the Cu foams show a >99.9995% inactivation efficiency after contacting the foams for 30 seconds. These results demonstrate promising directions to achieve a highly efficient multifunctional filtration platform with optimized microstructures.


[102] 2407.15151

Spin Qubits with Scalable milli-kelvin CMOS Control

A key virtue of spin qubits is their sub-micron footprint, enabling a single silicon chip to host the millions of qubits required to execute useful quantum algorithms with error correction. With each physical qubit needing multiple control lines however, a fundamental barrier to scale is the extreme density of connections that bridge quantum devices to their external control and readout hardware. A promising solution is to co-locate the control system proximal to the qubit platform at milli-kelvin temperatures, wired-up via miniaturized interconnects. Even so, heat and crosstalk from closely integrated control have potential to degrade qubit performance, particularly for two-qubit entangling gates based on exchange coupling that are sensitive to electrical noise. Here, we benchmark silicon MOS-style electron spin qubits controlled via heterogeneously-integrated cryo-CMOS circuits with a low enough power density to enable scale-up. Demonstrating that cryo-CMOS can efficiently enable universal logic operations for spin qubits, we go on to show that mill-kelvin control has little impact on the performance of single- and two-qubit gates. Given the complexity of our milli-kelvin CMOS platform, with some 100-thousand transistors, these results open the prospect of scalable control based on the tight packaging of spin qubits with a chiplet style control architecture.


[103] 2407.15179

Binding and dimerization control phase separation in a compartment

Biological cells exhibit a hierarchical spatial organization, where various compartments harbor condensates that form by phase separation. Cells can control the emergence of these condensates by affecting compartment size, the amount of the involved molecules, and their physical interactions. While physical interactions directly affect compartment binding and phase separation, they can also cause oligomerization, which has been suggested as a control mechanism. Analyzing an equilibrium model, we illustrate that oligomerization amplifies compartment binding and phase separation, which reinforce each other. This nonlinear interplay can also induce multistability, which provides additional potential for control. Our work forms the basis for deriving thermodynamically consistent kinetic models to understand how biological cells can regulate phase separation in their compartments.


[104] 2407.15189

Unraveling Picophotonics of Crystalline Materials

Nanophotonics, which deals with the study of light-matter interaction at scales smaller than the wavelength of radiation, has widespread applications from plasmonic waveguiding, topological photonic crystals, super-lensing, solar absorbers, and infrared imaging. The physical phenomena governing these effects can be captured by using a macroscopic homogenized quantity called the refractive index. However, the lattice-level description of optical waves in a crystalline material using a quantum theory has long been unresolved. Inspired by the dynamics of electron waves and their corresponding band structure, here, we put forth a pico-optical band theory of solids which reveals waves hidden deep within a crystal lattice. We show that these hidden waves arise from optical pico-indices, a family of quantum functions obeying crystal symmetries, and cannot be described by the conventional concept of refractive index. We present for the first time - the hidden waves and pico-optical band structure of 14 distinct materials. We choose Si, Ge, InAs, GaAs, CdTe, and others from Group IV, III-V, and II-VI due to their technological relevance but our framework is readily applicable to a wide range of emerging 2D and 3D materials. In stark contrast to the macroscopic refractive index of these materials used widely today, this picophotonic framework shows that hidden waves exist throughout the crystal lattice and have unique pico-polarization texture and crowding. We also present an open-source software package, Purdue-PicoMax, for the research community to discover hidden waves in new materials like hBN, graphene, and Moire materials. Our work establishes a foundational crystallographic feature to discover novel pico-optical waves in light-matter interaction.


[105] 2407.15231

Cosmic Information Dynamics: The Landauer Principle and Cosmological Horizon

We show that the information loss at the cosmological apparent horizon in an expanding universe has a direct correspondence with the Landauer principle of information dynamics. We show that the Landauer limit is satisfied in this case, which implies that the information erasure at the cosmological apparent horizon happens in the most efficient way possible. We also show that our results hold for extensions of the standard entropy formulations. This is the first work which directly provides a correspondence between information dynamics and expanding cosmic horizons, and we discuss several interesting implications of this result.


[106] 2407.15263

Crystalline forsterite to 160 GPa: the striking metastability of one of Universe's most abundant minerals

Among Universe's most consequential events are large impacts generating rapidly-evolving extreme pressures and temperatures. Crystalline and amorphous forms of (Mg, Fe)2SiO4 are abundant and widespread, within planets and in space. The behavior of these minerals is expected to deviate form thermodynamic equilibrium in many of the processes that are critical to the formation and evolution of planets, particularly shock events. To further the understanding of the behavior of the silicate under extreme conditions, we statically compressed a crystal of forsterite up to 160.5 GPa, far beyond the compound's stability field, and probed its long-range ordering with synchrotron microdiffraction. We found that forsterite retains long-range ordering up to the highest pressure reached. Forsterite III, emerging at about 58 GPa, persists in compression to 160.5 GPa and in decompression down to about 13 GPa, for a rare combined occurrence of a metastable phase of nearly 150 GPa. These observations dispute earlier reports of pressure-induced amorphization and are a unique testimony of the resilience of the crystalline state in quasi hydrostatic compression. We confirm that highly disordered forsterite can be obtained from the decompression of forsterite III as suggested from the substantial loss of long-range ordering observed at 7 GPa after further decompression. Such kinetic pathway may explain how synthetic olivine glass have been obtained in shock experiments and could be a mechanism of generation of amorphous forsterite in cosmic dust. The 120 GPa Hugoniot discontinuity finds no correspondence in our data, marking a departure from the parallelism between static "cold compression" and dynamic compression.


[107] 2407.15387

A Nanomechanical Atomic Force Qubit

Silicon nanomechanical resonators display ultra-long lifetimes at cryogenic temperatures and microwave frequencies. Achieving quantum control of single-phonons in these devices has so far relied on nonlinearities enabled by coupling to ancillary qubits. In this work, we propose using atomic forces to realize a silicon nanomechanical qubit without coupling to an ancillary qubit. The proposed qubit operates at 60 MHz with a single-phonon level anharmonicity of 5 MHz. We present a circuit quantum acoustodynamics architecture where electromechanical resonators enable dispersive state readout and multi-qubit operations. The combination of strong anharmonicity, ultrahigh mechanical quality factors, and small footprints achievable in this platform could enable quantum-nonlinear phononics for quantum information processing and transduction.


[108] 2407.15422

Lattice study of SU(2) gauge theory coupled to four adjoint Higgs fields

Gauge theories with matter fields in various representations play an important role in different branches of physics. Recently, it was proposed that several aspects of the interesting pseudogap phase of cuprate superconductors near optimal doping may be explained by an emergent $SU(2)$ gauge symmetry. Around the transition with positive hole-doping, one can construct a $(2+1)-$dimensional $SU(2)$ gauge theory coupled to four adjoint scalar fields which gives rise to a rich phase diagram with a myriad of phases having different broken symmetries. We study the phase diagram of this model on the Euclidean lattice using the Hybrid Monte Carlo algorithm. We find the existence of multiple broken phases as predicted by previous mean field studies. Depending on the quartic couplings, the $SU(2)$ gauge symmetry is broken down either to $U(1)$ or $\mathbb{Z}_2$ in the perturbative description of the model. We further study the confinement-deconfinement transition in this theory, and find that both the broken phases are deconfining. However, there exists a marked difference in the behavior of the Polyakov loop between the two phases.


[109] 2407.15430

Reduced theory of symmetric and antisymmetric exchange interactions in nanowires

We investigate the behavior of minimizers of perturbed Dirichlet energies supported on a wire generated by a regular simple curve $\gamma$ and defined in the space of $\mathbb{S}^2$-valued functions. The perturbation $K$ is represented by a matrix-valued function defined on $\mathbb{S}^2$ with values in $\mathbb{R}^{3 \times 3}$. Under natural regularity conditions on $K$, we show that the family of perturbed Dirichlet energies converges, in the sense of $\Gamma$-convergence, to a simplified energy functional on $\gamma$. The reduced energy unveils how part of the antisymmetric exchange interactions contribute to an anisotropic term whose specific shape depends on the curvature of $\gamma$. We also discuss the significant implications of our results for studies of ferromagnetic nanowires when Dzyaloshinskii-Moriya interaction (DMI) is present.


[110] 2407.15450

Verifying the analogy between transversely coupled spin-1/2 systems and inductively-coupled fluxoniums

We report a detailed characterization of two inductively coupled superconducting fluxonium qubits for implementing high-fidelity cross-resonance gates. Our circuit stands out because it behaves very closely to the case of two transversely coupled spin-1/2 systems. In particular, the generally unwanted static ZZ-term due to the non-computational transitions is nearly absent despite a strong qubit-qubit hybridization. Spectroscopy of the non-computational transitions reveals a spurious LC-mode arising from the combination of the coupling inductance and the capacitive links between the terminals of the two qubit circuits. Such a mode has a minor effect on our specific device, but it must be carefully considered for optimizing future designs.


[111] 2407.15459

Text-to-Battery Recipe: A language modeling-based protocol for automatic battery recipe extraction and retrieval

Recent studies have increasingly applied natural language processing (NLP) to automatically extract experimental research data from the extensive battery materials literature. Despite the complex process involved in battery manufacturing -- from material synthesis to cell assembly -- there has been no comprehensive study systematically organizing this information. In response, we propose a language modeling-based protocol, Text-to-Battery Recipe (T2BR), for the automatic extraction of end-to-end battery recipes, validated using a case study on batteries containing LiFePO4 cathode material. We report machine learning-based paper filtering models, screening 2,174 relevant papers from the keyword-based search results, and unsupervised topic models to identify 2,876 paragraphs related to cathode synthesis and 2,958 paragraphs related to cell assembly. Then, focusing on the two topics, two deep learning-based named entity recognition models are developed to extract a total of 30 entities -- including precursors, active materials, and synthesis methods -- achieving F1 scores of 88.18% and 94.61%. The accurate extraction of entities enables the systematic generation of 165 end-toend recipes of LiFePO4 batteries. Our protocol and results offer valuable insights into specific trends, such as associations between precursor materials and synthesis methods, or combinations between different precursor materials. We anticipate that our findings will serve as a foundational knowledge base for facilitating battery-recipe information retrieval. The proposed protocol will significantly accelerate the review of battery material literature and catalyze innovations in battery design and development.


[112] 2407.15533

Self-repellent branching random walk

We consider a discrete-time binary branching random walk with independent standard normal increments subject to a penalty $\b$ for every pair of particles that get within distance $\e$ of each other at any time. We give a precise description of the most likely configurations of the particles under this law for $N$ large and $\b,\e$ fixed. Particles spread out over a distance $2^{2N/3}$, essentially in finite time, and subsequently arrange themselves so that at time $2N/3$ they cover a grid of width $\e$ with one particle per site. After time $2N/3$, the bulk of the particles and their descendants do not move anymore, while the particles in a boundary layer of width $2^{N/3}$ form a ``staircase" to the particles in the bulk. At time $N$, each site in the boundary layer is occupied by $2^{N/3}$ particles.


[113] 2407.15592

Spatiotemporal symmetries and energy-momentum conservation in uniform spacetime metamaterials

Spacetime metamaterials (ST-MMs) are opening new regimes of light-matter interactions based on the breaking of temporal and spatial symmetries, as well as intriguing concepts associated with synthetic motion. In this work, we investigate the continuous spatiotemporal translation symmetry of ST-MMs with uniform modulation velocity. Using Noether theorem, we demonstrate that such symmetry entails the conservation of the energy-momentum. We highlight how energy-momentum conservation imposes constraints on the range of allowed light-matter interactions within ST-MMs, as illustrated with examples of the collision of electromagnetic and modulation pulses. Furthermore, we discuss the similarities and differences between the conservation of energy-momentum and relativistic effects. We believe that our work provides a step forward in clarifying the fundamental theory underlying ST-MMs.


[114] 2407.15629

Concurrent VQE for Simulating Excited States of the Schwinger Model

This work explores the application of the concurrent variational quantum eigensolver (cVQE) for computing excited states of the Schwinger model. By designing suitable ansatz circuits utilizing universal SO(4) or SO(8) qubit gates, we demonstrate how to efficiently obtain the lowest two, four, and eight eigenstates with one, two, and three ancillary qubits for both vanishing and non-vanishing background electric field cases. Simulating the resulting quantum circuits classically with tensor network techniques, we demonstrate the capability of our approach to compute the two lowest eigenstates of systems with up to $\mathcal{O}(100)$ qubits. Given that our method allows for measuring the low-lying spectrum precisely, we also present a novel technique for estimating the additive mass renormalization of the lattice based on the energy gap. As a proof-of-principle calculation, we prepare the ground and first-excited states with one ancillary and four physical qubits on quantum hardware, demonstrating the practicality of using the cVQE to simulate excited states.


[115] 2407.15697

Voltage mapping in subcellular nanodomains using electro-diffusion modeling

Voltage distribution in sub-cellular micro-domains such as neuronal synapses, small protrusions or dendritic spines regulates the opening and closing of ionic channels, energy production and thus cellular homeostasis and excitability. Yet how voltage changes at such a small scale in vivo remains challenging due to the experimental diffraction limit, large signal fluctuations and the still limited resolution of fast voltage indicators. Here, we study the voltage distribution in nano-compartments using a computational approach based on the Poisson-Nernst-Planck equations for the electro-diffusion motion of ions, where inward and outward fluxes are generated between channels. We report a current-voltage (I-V) logarithmic relationship generalizing Nernst law that reveals how the local membrane curvature modulates the voltage. We further find that an influx current penetrating a cellular electrolyte can lead to perturbations from tens to hundreds of nanometers deep depending on the local channels organization. Finally, we show that the neck resistance of dendritic spines can be completely shunted by the transporters located on the head boundary, facilitating ionic flow. To conclude, we propose that voltage is regulated at a subcellular level by channels organization, membrane curvature and narrow passages.


[116] 2407.15704

Distributions of consecutive level spacings of GUE and their ratio: an analytic treatment

In recent studies of many-body localization in nonintegrable quantum systems, the distribution of the ratio of two consecutive energy level spacings, $r_n=(E_{n+1}-E_n)/(E_{n}-E_{n-1})$ or $\tilde{r}_n=\min(r_n,r_n^{-1})$, has been used as a measure to quantify the chaoticity, alternative to the more conventional distribution of the level spacings, $s_n=\bar{\rho}(E_n)(E_{n+1}-E_n)$, as the former unnecessitates the unfolding required for the latter. Based on our previous work on the Tracy-Widom approach to the Janossy densities, we present analytic expressions for the joint probability distribution of two consecutive eigenvalue spacings and the distribution of their ratio for the Gaussian unitary ensemble (GUE) of random Hermitian $N\times N$ matrices at $N\to\infty$, in terms of a system of differential equations. As a showcase of efficacy of our results for characterizing an approach to quantum chaoticity, we contrast them to arguably the most ideal of all quantum-chaotic spectra: the zeroes of the Riemann $\zeta$ function on the critical line at increasing heights.


[117] 2407.15783

24 days-stable CNOT-gate on fluxonium qubits with over 99.9% fidelity

Fluxonium qubit is a promising building block for quantum information processing due to its long coherence time and strong anharmonicity. In this paper, we realize a 60 ns direct CNOT-gate on two inductively-coupled fluxonium qubits using selective darkening approach, resulting in a gate fidelity as high as 99.94%. The fidelity remains above 99.9% for 24 days without any recalibration between randomized benchmarking measurements. Compared with the 99.96% fidelity of a 60 ns identity gate, our data brings the investigation of the non-decoherence-related errors during gate operations down to $2 \times 10^{-4}$. The present result adds a simple and robust two-qubit gate into the still relatively small family of "the beyond three nines" demonstrations on superconducting qubits.


[118] 2407.15808

Quantum Computing for Phonon Scattering Effects on Thermal Conductivity

Recent investigations have demonstrated that multi-phonon scattering processes substantially influence the thermal conductivity of materials, posing significant computational challenges for classical simulations as the complexity of phonon modes escalates. This study examines the potential of quantum simulations to address these challenges, utilizing Noisy Intermediate Scale Quantum era (NISQ) quantum computational capabilities and quantum error mitigation techniques to optimize thermal conductivity calculations. Employing the Variational Quantum Eigensolver (VQE) algorithm, we simulate phonon-phonon contributions based on the Boltzmann Transport Equation (BTE). Our methodology involves mapping multi-phonon scattering systems to fermionic spin operators, necessitating the creation of a customized ansatz to balance circuit accuracy and depth. We construct the system within Fock space using bosonic operators and transform the Hamiltonian into the sum of Pauli operators suitable for quantum computation. By addressing the impact of non-unitary noise effects, we benchmark the noise influence and implement error mitigation strategies to develop a more efficient model for quantum simulations in the NISQ era.