The exploration of solid-solid phase transition suffers from the uncertainty of how atoms in two crystal structures match. We devised a theoretical framework to describe and classify crystal-structure matches (CSM). Such description fully exploits the translational and rotational symmetries and is independent of the choice of supercells. This is enabled by the use of the Hermite normal form, an analog of reduced echelon form for integer matrices. With its help, exhausting all CSMs is made possible, which goes beyond the conventional optimization schemes. In an example study of the martensitic transformation of steel, our enumeration algorithm finds many candidate CSMs with lower strains than known mechanisms. Two long-sought CSMs accounting for the most commonly observed Kurdjumov-Sachs orientation relationship and the Nishiyama-Wassermann orientation relationship are unveiled. Given the comprehensiveness and efficiency, our enumeration scheme provide a promising strategy for solid-solid phase transition mechanism research.

We present an approach for $GW$ calculations of quasiparticle energies with quasiquadratic scaling by approximating high-energy contributions to the Green’s function in its Lehmann representation with effective stochastic vectors. The method is easy to implement without altering the $GW$ code, converges rapidly with stochastic parameters, and treats systems of various dimensionality and screening response. Our calculations on a 5.75° twisted ${\mathrm{MoS}}_2$ bilayer show how large-scale $GW$ methods include geometry relaxations and electronic correlations on an equal basis in structurally nontrivial materials.

The presence of the giant component is a necessary condition for the emergence of collective behavior in complex networked systems. Unlike networks, hypergraphs have an important native feature that components of hypergraphs might be of higher order, which could be defined in terms of the number of common nodes shared between hyperedges. Although the extensive higher-order component (HOC) could be witnessed ubiquitously in real-world hypergraphs, the role of the giant HOC in collective behavior on hypergraphs has yet to be elucidated. In this Letter, we demonstrate that the presence of the giant HOC fundamentally alters the outbreak patterns of higher-order contagion dynamics on real-world hypergraphs. Most crucially, the giant HOC is required for the higher-order contagion to invade globally from a single seed. We confirm it by using synthetic random hypergraphs containing adjustable and analytically calculable giant HOC.

We study quantum steering experiments without assuming that the trusted party can perfectly control their measurement device. Instead, we introduce a scenario in which these measurements are subject to small imprecision. We show that small measurement imprecision can have a large detrimental influence in terms of false positives for steering inequalities, and that this effect can become even more relevant for high-dimensional systems. We then introduce a method for taking generic measurement imprecision into account in tests of bipartite steering inequalities. The revised steering bounds returned by this method are analytical, easily computable, and are even optimal for well-known families of arbitrary-dimensional steering tests. Furthermore, it applies equally well to generalized quantum steering scenarios, where the shared quantum state does not need to be separable, but is instead limited by some other entanglement property.

The Lieb-Schultz-Mattis (LSM) theorem provides a general constraint on quantum many-body systems and plays a significant role in the Haldane gap phenomena and topological phases of matter. Here, we extend the LSM theorem to open quantum systems and establish a general theorem that restricts the steady state and spectral gap of Liouvillians based solely on symmetry. Specifically, we demonstrate that the unique gapped steady state is prohibited when translation invariance and U(1) symmetry are simultaneously present for noninteger filling numbers. As an illustrative example, we find that no dissipative gap is open in the spin-$1/2$ dissipative Heisenberg model, while a dissipative gap can be open in the spin-1 counterpart—an analog of the Haldane gap phenomena in open quantum systems. Furthermore, we show that the LSM constraint manifests itself in a quantum anomaly of the dissipative form factor of Liouvillians. We also find the LSM constraints due to symmetry intrinsic to open quantum systems, such as Kubo-Martin-Schwinger symmetry. Our work leads to a unified understanding of phases and phenomena in open quantum systems.

This work presents the first Bayesian inference study of the $(3+1)\mathrm{D}$ dynamics of relativistic heavy-ion collisions and quark-gluon plasma viscosities using an event-by-event $(3+1)\mathrm{D}$ $\mathrm{hydrodynamics}+\text{hadronic}$ transport theoretical framework and data from the Relativistic Heavy Ion Collider Beam energy scan program. Robust constraints on initial state nuclear stopping and the baryon chemical potential-dependent shear viscosity of the produced quantum chromodynamic (QCD) matter are obtained. The specific bulk viscosity of the QCD matter is found to exhibit a preferred maximum around $\sqrt{s_{\mathrm{NN}}}=19.6\mathrm{GeV}$. This result allows for the alternative interpretation of a reduction (and/or increase) of the speed of sound relative to that of the employed lattice-QCD based equation of state for net baryon chemical potential ${\mu }_B\sim 0.2(0.4)\mathrm{GeV}$.

The electric dipole moment (EDM) plays a crucial role in determining the interaction strength of an atom with electric fields, making it paramount to quantum technologies based on coherent atomic control. We propose a scheme for engineering the potential in a Paul trap to realize a two-level quantum system with a giant EDM formed by the motional states of a trapped electron. We show that, under realistic experimental conditions, our system exhibits enhanced EDMs compared to those attainable with Rydberg atoms, serving as a complementary counterpart in the megahertz (MHz) resonance-frequency range. Furthermore, we show that such artificial atomic dipoles can be efficiently initialized, read out, and coherently controlled, thereby providing a potential platform for quantum technologies such as ultrahigh-sensitivity electric-field sensing.

The exotic physics associated with exceptional points (EPs) is always under the scrutiny of theoretical and experimental science. Recently, considerable effort has been invested in the combination of nonlinearity and non-Hermiticity. The concept of nonlinear EPs (NEPs) has been introduced, which can avoid the loss of completeness of the eigenbasis in dynamics while retaining the key features of linear EPs. Here, we present the first direct experimental demonstration of a NEP based on two non-Hermition coupled circuit resonators combined with a nonlinear saturable gain. At the NEP, the response of the eigenfrequency to perturbations demonstrates a third-order root law and the eigenbasis of the Hamiltonian governing the system dynamics is still complete. Our results bring this counterintuitive aspect of the NEP to light and possibly open new avenues for applications.

Over the last few years, crystalline topology has been used in photonic crystals to realize edge- and corner-localized states that enhance light-matter interactions for potential device applications. However, the band-theoretic approaches currently used to classify bulk topological crystalline phases cannot predict the existence, localization, or spectral isolation of any resulting boundary-localized modes. While interfaces between materials in different crystalline phases must have topological states at some energy, these states need not appear within the band gap, and thus may not be useful for applications. Here, we derive a class of local markers for identifying material topology due to crystalline symmetries, as well as a corresponding measure of topological protection. As our real-space-based approach is inherently local, it immediately reveals the existence and robustness of topological boundary-localized states, yielding a predictive framework for designing topological crystalline heterostructures. Beyond enabling the optimization of device geometries, we anticipate that our framework will also provide a route forward to deriving local markers for other classes of topology that are reliant upon spatial symmetries.

Metasurfaces and photonic crystals have revolutionized classical and quantum manipulation of light and opened the door to studying various optical singularities related to phases and polarization states. However, traditional nanophotonic devices lack reconfigurability, hindering the dynamic switching and optimization of optical singularities. This paper delves into the underexplored concept of tunable bilayer photonic crystals (BPhCs), which offer rich interlayer coupling effects. Utilizing silicon nitride-based BPhCs, we demonstrate tunable bidirectional and unidirectional polarization singularities, along with spatiotemporal phase singularities. Leveraging these tunable singularities, we achieve dynamic modulation of bound-state-in-continuum states, unidirectional guided resonances, and both longitudinal and transverse orbital angular momentum. Our work paves the way for multidimensional control over polarization and phase, inspiring new directions in ultrafast optics, optoelectronics, and quantum optics.

Gyrokinetic simulations of the fishbone instability in DIII-D tokamak plasmas find that self-generated zonal flows can dominate the nonlinear saturation by preventing coherent structures from persisting or drifting in the energetic particle phase space when the mode frequency down-chirps. Results from the simulation with zonal flows agree quantitatively, for the first time, with experimental measurements of the fishbone saturation amplitude and energetic particle transport. Moreover, the fishbone-induced zonal flows are likely responsible for the formation of an internal transport barrier that was observed after fishbone bursts in this DIII-D experiment. Finally, gyrokinetic simulations of a related ITER baseline scenario show that the fishbone induces insignificant energetic particle redistribution and may enable high performance scenarios in ITER burning plasma experiments.

Exciton transfers are ubiquitous and extremely important processes, but often poorly understood. A recent example is the triplet exciton transfer in tetracene sensitized silicon solar cells exploited for harvesting high-energy photons. The present ab initio molecular dynamics calculations for tetracene-Si(111):H interfaces show that Si dangling bonds, intuitively expected to hinder the exciton transfer, actually foster it. This suggests that defects and structural imperfections at interfaces may be exploited for excitation transfer.

We propose a concept of quantum dot based light emitting diode that produces circularly polarized light without magnetic contacts due to the hyperfine interaction at the crossing of the exciton levels in a weak magnetic field. The electroluminescence circular polarization degree can reach 100%. The concept is compatible with the micropillar cavities, which allows for the generation of single circularly polarized photons. Second order photon correlation function includes information about the nuclear spin dynamics in the quantum dot, and the nuclear spin state can be purified by the quantum measurement backaction.

The Kubo formula is a cornerstone in our understanding of near-equilibrium transport phenomena. While conceptually elegant, the application of Kubo’s linear-response theory to interesting problems is hindered by the need for algorithms that are accurate and scalable to large lattice sizes beyond one spatial dimension. Here, we propose a general framework to numerically study large systems, which combines the spectral accuracy of Chebyshev expansions with the efficiency of divide-and-conquer methods. We use the hybrid algorithm to calculate the two-terminal conductance and the bulk conductivity tensor of 2D lattice models with over ${10}^7$ sites. By efficiently sampling the microscopic information contained in billions of Chebyshev moments, the algorithm is able to accurately resolve the linear-response properties of complex systems in the presence of quenched disorder. Our results lay the groundwork for future studies of transport phenomena in previously inaccessible regimes.

We derive a widely applicable first-principles approach for determining two-body, static effective interactions for low-energy Hamiltonians with quantitative accuracy. The algebraic construction rigorously conserves all instantaneous two-point correlation functions in a chosen model space at the level of the random phase approximation, improving upon the traditional uncontrolled static approximations. Applied to screened interactions within a quantum embedding framework, we demonstrate these faithfully describe the relaxation of local subspaces via downfolding high-energy physics in molecular systems, as well as enabling a systematically improvable description of the long-range plasmonic contributions in extended graphene.

We report pump-probe measurements of a hydrogen molecule (${\mathrm{H}}_2$) in the tunnel junction of a scanning tunneling microscope coupled to ultrashort terahertz (THz) pulses. The coherent oscillation of the THz-induced dc tunneling current at a frequency of $\sim 0.5\mathrm{THz}$ fingerprints the absorption by ${\mathrm{H}}_2$ as a two-level system (TLS). Two components of the oscillatory signal are observed and point to both photon and field aspects of the THz pulses. A few loosely bound states with similar energies for the upper state of the TLS are evidenced by the coherent revival of oscillatory signal. Furthermore, the comparison of spectroscopic features of ${\mathrm{H}}_2$ with different tips provides an understanding of the TLS for ${\mathrm{H}}_2$.