The rich variety of crystalline symmetries in solids leads to a plethora of topological crystalline insulators (TCIs), featuring distinct physical properties, which are conventionally understood in terms of bulk invariants specialized to the symmetries at hand. While isolated examples of TCI have been identified and studied, the same variety demands a unified theoretical framework. In this work, we show how the surfaces of TCIs can be analyzed within a general surface theory with multiple flavors of Dirac fermions, whose mass terms transform in specific ways under crystalline symmetries. We identify global obstructions to achieving a fully gapped surface, which typically lead to gapless domain walls on suitably chosen surface geometries. We perform this analysis for all 32 point groups, and subsequently for all 230 space groups, for spin-orbit-coupled electrons. We recover all previously discussed TCIs in this symmetry class, including those with “hinge” surface states. Finally, we make connections to the bulk band topology as diagnosed through symmetry-based indicators. We show that spin-orbit-coupled band insulators with nontrivial symmetry indicators are always accompanied by surface states that must be gapless somewhere on suitably chosen surfaces. We provide an explicit mapping between symmetry indicators, which can be readily calculated, and the characteristic surface states of the resulting TCIs.

Topological semimetals are under intensive theoretical and experimental studies. The first step of these studies is always the theoretical (numerical) predication of one or several candidate materials, based on first-principles numerics. In these calculations, it is crucial that all topological band crossings, including their types and positions in the Brillouin zone, are found. While band crossings along high-symmetry lines, which are routinely scanned in numerics, are simple to locate, the ones at generic momenta are notoriously time-consuming to find and may be easily missed. In this paper, we establish a theoretical scheme of diagnosis for topological semimetals where all band crossings are at generic momenta in systems with time-reversal symmetry and negligible spin-orbital coupling. The scheme uses only the symmetry (inversion and rotation) eigenvalues of the valence bands at high-symmetry points in the Brillouin zone as input and provides the types (lines or points), topological charges, numbers, and configurations of all robust topological band crossings, if any, at generic momenta. The nature of the new diagnosis scheme allows for full automation and parallelization and paves the way to high-throughput numerical predictions of topological semimetals.

The complex physics of the interaction between short-pulse ultrahigh-intensity lasers and solids is so far difficult to access experimentally, and the development of compact laser-based next-generation secondary radiation sources, e.g., for tumor therapy, laboratory astrophysics, and fusion, is hindered by the lack of diagnostic capabilities to probe the complex electron dynamics and competing instabilities. At present, the fundamental plasma dynamics that occur at the nanometer and femtosecond scales during the laser-solid interaction can only be elucidated by simulations. Here we show experimentally that small-angle x-ray scattering of femtosecond x-ray free-electron laser pulses facilitates new capabilities for direct in situ characterization of intense short-pulse laser-plasma interactions at solid density that allows simultaneous nanometer spatial and femtosecond temporal resolution, directly verifying numerical simulations of the electron density dynamics during the short-pulse high-intensity laser irradiation of a solid density target. For laser-driven grating targets, we measure the solid density plasma expansion and observe the generation of a transient grating structure in front of the preinscribed grating, due to plasma expansion. The density maxima are interleaved, forming a double frequency grating in x-ray free-electron laser projection for a short time, which is a hitherto unknown effect. We expect that our results will pave the way for novel time-resolved studies, guiding the development of future laser-driven particle and photon sources from solid targets.

Recent discoveries of topological phases realized in electronic states in solids have revealed an important role of topology, which ubiquitously appears in various materials in nature. Many well-known materials have turned out to be topological materials, and this new viewpoint of topology has opened a new horizon in material science. In this paper, we find that electrides are suitable for achieving various topological phases, including topological insulating and topological semimetal phases. In the electrides, in which electrons serve as anions, the bands occupied by the anionic electrons lie near the Fermi level, because the anionic electrons are weakly bound by the lattice. This property of the electrides is favorable for achieving band inversions needed for topological phases, and, thus, the electrides are prone to topological phases. From such a point of view, we find many topological electrides, ${\mathrm{Y}}_2\mathrm{C}$ [nodal-line semimetal (NLS)], ${\mathrm{Sc}}_2\mathrm{C}$ (insulator with a $\pi$ Zak phase), ${\mathrm{Sr}}_2\mathrm{Bi}$ (NLS), HfBr (quantum spin Hall system), and LaBr (quantum anomalous Hall insulator), by using ab initio calculation. The close relationship between the electrides and the topological materials is useful in material science in both fields.

We report a numerical investigation of three-dimensional, incompressible, Hall magnetohydrodynamic turbulence with a relatively strong mean magnetic field. Using helicity decomposition and cross-bicoherence analysis, we observe that the resonant three-wave coupling is substantial among ion-cyclotron and whistler waves. A detailed study of the degree of nonlinearity of these two populations shows that the ion-cyclotron component experiences a transition from weak to strong wave turbulence going from large to small scales, while the whistler fluctuations display a weak wave turbulence character for all scales. This nontrivial coexistence of the two regimes with two populations of waves gives rise to anomalous anisotropy and scaling properties. The weak and strong wave turbulence components can be distinguished rather efficiently using spatiotemporal Fourier transforms. The analysis shows that while resonant triad interactions survive the highly nonlinear bath of ion-cyclotron fluctuations at large scales for which the degree of nonlinearity is low for both populations of waves, whistler waves tend to be killed by the nonlinear cross-coupling at smaller scales where the ion-cyclotron component is in the strong wave turbulent regime. Such a situation may have far-reaching implications for the physics of magnetized turbulence in many astrophysical and space plasmas and probably beyond, where different waves coexist and compete to transfer energy nonlinearly, across scales.

Bacterial colonies are abundant on living and nonliving surfaces and are known to mediate a broad range of processes in ecology, medicine, and industry. Although extensively researched, from single cells to demographic scales, a comprehensive biomechanical picture, highlighting the cell-to-colony dynamics, is still lacking. Here, using molecular dynamics simulations and continuous modeling, we investigate the geometrical and mechanical properties of a bacterial colony growing on a substrate with a free boundary and demonstrate that such an expanding colony self-organizes into a “mosaic” of microdomains consisting of highly aligned cells. The emergence of microdomains is mediated by two competing forces: the steric forces between neighboring cells, which favor cell alignment, and the extensile stresses due to cell growth that tend to reduce the local orientational order and thereby distort the system. This interplay results in an exponential distribution of the domain areas and sets a characteristic length scale proportional to the square root of the ratio between the system orientational stiffness and the magnitude of the extensile active stress. Our theoretical predictions are finally compared with experiments with freely growing E. coli microcolonies, finding quantitative agreement.

Quantum spin liquids (QSLs) are intriguing phases of matter possessing fractionalized excitations. Several quasi-two-dimensional materials have been proposed as candidate QSLs, but direct evidence for fractionalization in these systems is still lacking. In this paper, we show that the interplane thermal conductivity in layered QSLs carries a unique signature of fractionalization. We examine several types of gapless QSL phases—a $Z_2$ QSL with either a Dirac spectrum or a spinon Fermi surface, and a $U(1)$ QSL with a Fermi surface—and consider both clean and disordered systems. In all cases, the in-plane and $c$-axis thermal conductivities have a different power-law dependence on temperature because of the different mechanisms of transport in the two directions: In the planes, the thermal current is carried by fractionalized excitations, whereas the interplane current is carried by integer (nonfractional) excitations. In layered $Z_2$ and $U(1)$ QSLs with a Fermi surface, and in the disordered $Z_2$ QSL with a Dirac dispersion, the $c$-axis thermal conductivity is parametrically smaller than the in-plane one but parametrically larger than the phonon contribution at low temperatures.

Active motion of molecules along filamentous structures is a crucial feature of cell biology and is often modeled with the paradigmatic asymmetric simple exclusion process. Motivated by recent experimental studies that have addressed the stepping behavior of kinesins on microtubules, we investigate a lattice gas model for simultaneous transport of two species of active particles on a cylinder. The species are distinguished by their different gaits: While the first species moves straight ahead, the second follows a helical path. We show that the collective properties of such systems critically differ from those of one-species transport in a way that cannot be accounted for by standard models. This is most evident in a jamming transition far below full occupation, as well as in nonequilibrium pattern formation. The altered behavior arises because—unlike the case in single-species transport—any given position may be targeted by two particles from different directions at the same time. However, a particle can leave a given position only in one direction. This simple change in connectivity significantly amplifies the impact of steric interactions and thus becomes a key determinant of mixed species transport. We computationally characterize this type of hindrance and develop a comprehensive theory for collective two-species transport along a cylinder. Our observations show high robustness against model extensions that account for additional biomolecular features and demonstrate that even small fractions of a second species can significantly alter transport. This suggests that our analysis is also relevant in a biological context.

Ionic liquids constrained at interfaces or restricted in subnanometric pores are increasingly employed in modern technologies, including energy applications. Understanding the details of their behavior in these conditions is therefore critical. By using molecular dynamics simulation, we clarify theoretically and numerically the effect of confinement at the nanoscale on the static and dynamic properties of an ionic liquid. In particular, we focus on the interplay among the size of the ions, the slit pore width, and the length scale associated to the long-range organization of polar and apolar domains present in the bulk material. By modulating both the temperature and the extent of the confinement, we demonstrate the existence of a complex reentrant phase behavior, including isotropic liquid and liquid-crystal-like phases with different symmetries. We show how these changes impact the relative organization of the ions, with substantial modifications of the Coulombic ordering, and their dynamical state. In this respect, we reveal a remarkable decoupling of the dynamics of the counterions, pointing to very different roles played by these in charge transport under confinement. We finally discuss our findings in connection with very recent experimental and theoretical work.

We describe the activation of out-of-equilibrium collective oscillations of a macromolecule as a classical phonon condensation phenomenon. If a macromolecule is modeled as an open system—that is, it is subjected to an external energy supply and is in contact with a thermal bath to dissipate the excess energy—the internal nonlinear couplings among the normal modes make the system undergo a nonequilibrium phase transition when the energy input rate exceeds a threshold value. This transition takes place between a state where the energy is incoherently distributed among the normal modes and a state where the input energy is channeled into the lowest-frequency mode entailing a coherent oscillation of the entire molecule. The model put forward in the present work is derived as the classical counterpart of a quantum model proposed a long time ago by Fröhlich in an attempt to explain the huge speed of enzymatic reactions. We show that such a phenomenon is actually possible. Two different and complementary THz near-field spectroscopic techniques—a plasmonic rectenna and a microwire near-field probe—have been used in two different labs to eliminate artifacts. By considering an aqueous solution of a model protein, the bovine serum albumin, we find that this protein displays a remarkable absorption feature around 0.314 THz, when driven in a stationary out-of-thermal equilibrium state by means of optical pumping. The experimental outcomes are in very good qualitative agreement with the theory developed in the first part of the paper and in excellent quantitative agreement with the theoretical result, allowing us to identify the observed spectral feature with a collective oscillation of the entire molecule.

Molecular chirality plays an essential role in most biochemical processes. The observation and quantification of chirality-sensitive signals, however, remains extremely challenging, especially on ultrafast timescales and in dilute media. Here, we describe the experimental realization of an all-optical and ultrafast scheme for detecting chiral dynamics in molecules. This technique is based on high-harmonic generation by a combination of two-color counterrotating femtosecond laser pulses with polarization states tunable from linear to circular. We demonstrate two different implementations of chiral-sensitive high-harmonic spectroscopy on an ensemble of randomly oriented methyloxirane molecules in the gas phase. Using two elliptically polarized fields, we observe that the ellipticities maximizing the harmonic signal reach up to $4.4\pm 0.2\%$ (at 17.6 eV). Using two circularly polarized fields, we observe circular dichroisms ranging up to $13\pm 6\%$ (28.3–33.1 eV). Our theoretical analysis confirms that the observed chiral response originates from subfemtosecond electron dynamics driven by the magnetic component of the driving laser field. This assignment is supported by the experimental observation of a strong intensity dependence of the chiral effects and its agreement with theory. We moreover report and explain a pronounced variation of the signal strength and dichroism with the driving-field ellipticities and harmonic orders. Finally, we demonstrate the sensitivity of the experimental observables to the shape of the electron hole. This technique for chiral discrimination will yield femtosecond temporal resolution when integrated in a pump-probe scheme and subfemtosecond resolution on chiral charge migration in a self-probing scheme.

We provide experimental and theoretical evidence for a pressure-induced Mott insulator-metal transition in ${\mathrm{Fe}}_2{\mathrm{O}}_3$ characterized by site-selective delocalization of the electrons. Density functional plus dynamical mean-field theory ($\mathrm{DFT}+\mathrm{DMFT}$) calculations, along with Mössbauer spectroscopy, x-ray diffraction, and electrical transport measurements on ${\mathrm{Fe}}_2{\mathrm{O}}_3$ up to 100 GPa, reveal this site-selective Mott transition between 50 and 68 GPa, such that the metallization can be described by ${({}^{\mathrm{VI}}{\mathrm{Fe}}^{3+\mathrm{HS}})}_2{\mathrm{O}}_3$ $[R\overline{3}c\text{structure}]\underset{50\mathrm{GPa}}{\to }({}^{\mathrm{VIII}}{\mathrm{Fe}}^{3+\mathrm{HS}}{{}^{\mathrm{VI}}\mathrm{Fe}}^{\mathrm{M}}){\mathrm{O}}_3$ $[P{2}_1/n\text{structure}]\underset{68\mathrm{GPa}}{\to }{({}^{\mathrm{VI}}{\mathrm{Fe}}^{\mathrm{M}})}_2{\mathrm{O}}_3[Aba2/PPv\text{structure}]$. Within the $P{2}_1/n$ crystal structure, characterized by two distinct coordination sites (VI and VIII), we observe equal abundances of ferric ions (${\mathrm{Fe}}^{3+}$) and ions having delocalized electrons (${\mathrm{Fe}}^{\mathrm{M}}$), and only at higher pressures is a fully metallic high-pressure structure obtained, all at room temperature. Thereby, the transition is characterized by delocalization/metallization of the $3d$ electrons on half the Fe sites, with a site-dependent collapse of local moments. Above approximately 50 GPa, ${\mathrm{Fe}}_2{\mathrm{O}}_3$ is a strongly correlated metal with reduced electron mobility (large band renormalizations) of $m^{*}/m\sim 4$ and 6 near the Fermi level. Importantly, upon decompression, we observe a site-selective (metallic) to conventional Mott insulator phase transition $({}^{\mathrm{VIII}}{\mathrm{Fe}}^{3+\mathrm{HS}}{{}^{\mathrm{VI}}\mathrm{Fe}}^{\mathrm{M}}){\mathrm{O}}_3\underset{50\mathrm{GPa}}{\to }({}^{\mathrm{VIII}}{\mathrm{Fe}}^{3+\mathrm{HS}}{{}^{\mathrm{VI}}\mathrm{Fe}}^{3+\mathrm{HS}}){\mathrm{O}}_3$ within the same $P{2}_1/n$ structure, indicating a decoupling of the electronic and lattice degrees of freedom. Our results offer a model for understanding insulator-metal transitions in correlated electron materials, showing that the interplay of electronic correlations and crystal structure may result in rather complex behavior of the electronic and magnetic states of such compounds.

The scrambling of quantum information in closed many-body systems, as measured by out-of-time-ordered correlation functions (OTOCs), has received considerable attention lately. Recently, a hydrodynamical description of OTOCs has emerged from considering random local circuits. Numerical work suggests that aspects of this description are universal to ergodic many-body systems, even without randomness; a conjectured explanation for this is that while the random circuits have noise built into them, deterministic quantum systems, much like classically chaotic ones, “generate their own noise” and look effectively random on sufficient length scales and timescales. In this paper, we extend this approach to systems with locally conserved quantities (e.g., energy). We do this by considering local random unitary circuits with a conserved U(1) charge and argue, with numerical and analytical evidence, that the presence of a conservation law slows relaxation in both time-ordered and out-of-time-ordered correlation functions; both can have a diffusively relaxing component or “hydrodynamic tail” at late times. We verify the presence of such tails also in a deterministic, periodically driven system. We show that for OTOCs, the combination of diffusive and ballistic components leads to a wave front with a specific asymmetric shape, decaying as a power law behind the front. These results also explain existing numerical investigations in non-noisy ergodic systems with energy conservation. Moreover, we consider OTOCs in Gibbs states, parametrized by a chemical potential $\mu$, and apply perturbative arguments to show that for $\mu \gg 1$ the ballistic front of information spreading can only develop at times exponentially large in $\mu$—with the information traveling diffusively at earlier times. We also develop a new formalism for describing OTOCs and operator spreading, which allows us to interpret the saturation of OTOCs as a form of thermalization on the Hilbert space of operators.

We study the scrambling of local quantum information in chaotic many-body systems in the presence of a locally conserved quantity like charge or energy that moves diffusively. The interplay between conservation laws and scrambling sheds light on the mechanism by which unitary quantum dynamics, which is reversible, gives rise to diffusive hydrodynamics, which is a slow dissipative process. We obtain our results in a random quantum circuit model that is constrained to have a conservation law. We find that a generic spreading operator consists of two parts: (i) a conserved part which comprises the weight of the spreading operator on the local conserved densities, whose dynamics is described by diffusive charge spreading; this conserved part also acts as a source that steadily emits a flux of (ii) nonconserved operators. This emission leads to dissipation in the operator hydrodynamics, with the dissipative process being the slow conversion of operator weight from local conserved operators to nonconserved, at a rate set by the local diffusion current. The emitted nonconserved parts then spread ballistically at a butterfly speed, thus becoming highly nonlocal and, hence, essentially nonobservable, thereby acting as the “reservoir” that facilitates the dissipation. In addition, we find that the nonconserved component develops a power-law tail behind its leading ballistic front due to the slow dynamics of the conserved components. This implies that the out-of-time-order commutator between two initially separated operators grows sharply upon the arrival of the ballistic front, but, in contrast to systems with no conservation laws, it develops a diffusive tail and approaches its asymptotic late-time value only as a power of time instead of exponentially. We also derive these results within an effective hydrodynamic description which contains multiple coupled diffusion equations.

We propose a thermodynamically consistent minimal model to study synchronization which is made of driven and interacting three-state units. This system exhibits at the mean-field level two bifurcations separating three dynamical phases: a single stable fixed point, a stable limit cycle indicative of synchronization, and multiple stable fixed points. These complex emergent dynamical behaviors are understood at the level of the underlying linear Markovian dynamics in terms of metastability, i.e., the appearance of gaps in the upper real part of the spectrum of the Markov generator. Stochastic thermodynamics is used to study the dissipated work across dynamical phases as well as across scales. This dissipated work is found to be reduced by the attractive interactions between the units and to nontrivially depend on the system size. When operating as a work-to-work converter, we find that the maximum power output is achieved far from equilibrium in the synchronization regime and that the efficiency at maximum power is surprisingly close to the linear regime prediction. Our work shows the way towards building a thermodynamics of nonequilibrium phase transitions in conjunction with the bifurcation theory.

The performance of solar cells based on molecular electronic materials is limited by relatively high nonradiative voltage losses. The primary pathway for nonradiative recombination in organic donor-acceptor heterojunction devices is believed to be the decay of a charge-transfer (CT) excited state to the ground state via energy transfer to vibrational modes. Recently, nonradiative voltage losses have been related to properties of the charge-transfer state such as the Franck-Condon factor describing the overlap of the CT and ground-state vibrational states and, therefore, to the energy of the CT state. However, experimental data do not always follow the trends suggested by the simple model. Here, we extend this recombination model to include other factors that influence the nonradiative decay-rate constant, and therefore the open-circuit voltage, but have not yet been explored in detail. We use the extended model to understand the observed behavior of series of small molecules:fullerene blend devices, where open-circuit voltage appears insensitive to nonradiative loss. The trend could be explained only in terms of a microstructure-dependent CT-state oscillator strength, showing that parameters other than CT-state energy can control nonradiative recombination. We present design rules for improving open-circuit voltage via the control of material parameters and propose a realistic limit to the power-conversion efficiency of organic solar cells.

Laser-cooled atoms coupled to nanophotonic structures constitute a powerful research platform for the exploration of new regimes of light-matter interaction. While the initialization of the atomic internal degrees of freedom in these systems has been achieved, a full preparation of the atomic quantum state also requires controlling the center-of-mass motion of the atoms at the quantum level. Obtaining such control is not straightforward because of the close vicinity of the atoms to the photonic system at ambient temperature. Here, we demonstrate cooling of individual neutral cesium atoms that are optically interfaced with light in an optical nanofiber, preparing them close to their three-dimensional motional ground state. The atoms are localized less than 300 nm away from the hot fiber surface. Ground-state preparation is achieved by performing degenerate Raman cooling, and the atomic temperature is inferred from the analysis of heterodyne fluorescence spectroscopy signals. Our cooling method can be implemented either with externally applied or guided light fields. Moreover, it relies on polarization gradients, which naturally occur for strongly confined guided optical fields. Thus, this method can be implemented in any trap based on nanophotonic structures. Our results provide an ideal starting point for the study of novel effects such as light-induced self-organization, the measurement of novel optical forces, and the investigation of heat transfer at the nanoscale using quantum probes.

Lubricated surfaces have shown promise in numerous applications where impinging foreign droplets must be removed easily; however, before they can be widely adopted, the problem of lubricant depletion, which eventually leads to decreased performance, must be solved. Despite recent progress, a quantitative mechanistic explanation for lubricant depletion is still lacking. Here, we first explain the shape of a droplet on a lubricated surface by balancing the Laplace pressures across interfaces. We then show that the lubricant film thicknesses beneath, behind, and wrapping around a moving droplet change dynamically with the droplet’s speed—analogous to the classical Landau-Levich-Derjaguin problem. The interconnected lubricant dynamics results in the growth of the wetting ridge around the droplet, which is the dominant source of lubricant depletion. We then develop an analytic expression for the maximum amount of lubricant that can be depleted by a single droplet. Counterintuitively, faster-moving droplets subjected to higher driving forces deplete less lubricant than their slower-moving counterparts. The insights developed in this work will inform future work and the design of longer-lasting lubricated surfaces.

Novel time-resolved imaging techniques for the investigation of ultrafast nanoscale magnetization dynamics are indispensable for further developments in light-controlled magnetism. Here, we introduce femtosecond Lorentz microscopy, achieving a spatial resolution below 100 nm and a temporal resolution of 700 fs, which gives access to the transiently excited state of the spin system on femtosecond timescales and its subsequent relaxation dynamics. We demonstrate the capabilities of this technique by spatiotemporally mapping the light-induced demagnetization of a single magnetic vortex structure and quantitatively extracting the evolution of the magnetization field after optical excitation. Tunable electron imaging conditions allow for an optimization of spatial resolution or field sensitivity, enabling future investigations of ultrafast internal dynamics of magnetic topological defects on a 10 nm length scale.

Fracton models, a collection of exotic gapped lattice Hamiltonians recently discovered in three spatial dimensions, contain some “topological” features: They support fractional bulk excitations (dubbed fractons) and a ground-state degeneracy that is robust to local perturbations. However, because previous fracton models have been defined and analyzed only on a cubic lattice with periodic boundary conditions, it is unclear to what extent a notion of topology is applicable. In this paper, we demonstrate that the $X$-cube model, a prototypical type-I fracton model, can be defined on general three-dimensional manifolds. Our construction revolves around the notion of a singular compact total foliation of the spatial manifold, which constructs a lattice from intersecting stacks of parallel surfaces called leaves. We find that the ground-state degeneracy depends on the topology of the leaves and the pattern of leaf intersections. We further show that such a dependence can be understood from a renormalization group transformation for the $X$-cube model, wherein the system size can be changed by adding or removing 2D layers of topological states. Our results lead to an improved definition of fracton phase and bring to the fore the topological nature of fracton orders.