By combining molecular dynamics (MD) simulations with phase-field (PF) and phase-field crystal (PFC) modeling we study collision-controlled growth kinetics from the melt for pure Fe. The MD/PF comparison shows, on the one hand, that the PF model can be properly designed to reproduce quantitatively different aspects of the growth kinetics and anisotropy of planar and curved solid-liquid interfaces. On the other hand, this comparison demonstrates the ability of classical MD simulations to predict morphology and dynamics of moving curved interfaces up to a length scale of about 0.15 $\mu \mathrm{m}$. After mapping the MD model to the PF one, the latter permits to analyze the separate contribution of different anisotropies to the interface morphology. The MD/PFC agreement regarding the growth anisotropy and morphology extends the trend already observed for the here used PFC model in describing structural and elastic properties of bcc Fe.

We present exact diagonalization calculations for the spin-1/2 nearest-neighbor antiferromagnet on the pyrochlore lattice. We study a section of the lattice in the [111] direction and analyze the Hamiltonian of the breathing pyrochlore system with two coupling constants $J_1$ and $J_2$ for tetrahedra of different orientations and investigate the evolution of the system from the limit of disconnected tetrahedra ($J_2=0$) to a correlated state at $J_1=J_2$. We evaluate the low-energy spectrum, two and four spin correlations, and spin chirality correlations for a system size of up to 36 sites. The model shows a fast decay of spin correlations and we confirm the presence of several singlet excitations below the lowest magnetic excitation. We find chirality correlations near $J_1=J_2$ to be small at the length scales available at this system size. Evaluation of dimer-dimer correlations and analysis of the nature of the entanglement of the tetrahedral unit shows that the triplet sector of the tetrahedron contributes significantly to the ground-state entanglement at $J_1=J_2$.

We investigate the magnetic field dependence of an ideal superconducting vortex lattice in the parity-mixed pair-density-wave phase of multilayer superconductors within a circular cell Ginzburg-Landau approach. In multilayer systems, due to local inversion symmetry breaking, a Rashba spin-orbit coupling is induced at the outer layers. This combined with a perpendicular paramagnetic (Pauli) limiting magnetic field stabilizes a staggered layer dependent pair-density-wave phase in the superconducting singlet channel. The high-field pair-density-wave phase is separated from the low-field BCS phase by a first-order phase transition. The motivating guiding question in this paper is: What is the minimal necessary Maki parameter ${\alpha }_M$ for the appearance of the pair-density-wave phase of a superconducting trilayer system? To address this problem we generalize the circular cell method for the regular flux-line lattice of a type-II superconductor to include paramagnetic depairing effects. Then, we apply the model to the trilayer system, where each of the layers are characterized by Ginzburg-Landau parameter ${\kappa }_0$ and a Maki parameter ${\alpha }_M$. We find that when the spin-orbit Rashba interaction compares to the superconducting condensation energy, the orbitally limited pair-density-wave phase stabilizes for Maki parameters ${\alpha }_M>10$.

In two-dimensional crystals that lack symmetry under reflections on the horizontal plane of the lattice (non-${\sigma }_{\mathrm{h}}$-symmetric), electrons can couple to flexural modes (ZA phonons) at first order. We show that in materials of this type that also exhibit a Dirac-like electron dispersion, the strong coupling can result in electron pairing mediated by these phonons, as long as the flexural modes are not damped or suppressed by additional interactions with a supporting substrate or gate insulator. We consider several models: The weak-coupling limit, which is applicable only in the case of gapped and parabolic materials, like stanene and ${\mathrm{HfSe}}_2$, thanks to the weak coupling; the full gap-equation, solved using the constant-gap approximation and considering statically screened interactions; its extensions to energy-dependent gap and to dynamic screening. We argue that in the case of silicene and germanene superconductivity mediated by this process can exhibit a critical temperature of a few degrees K, or even a few tens of degrees K when accounting for the effect of a high-dielectric-constant environment. We conclude that the electron/flexural-modes coupling should be included in studies of possible superconductivity in non-${\sigma }_{\mathrm{h}}$-symmetric two-dimensional crystals, even if alternative forms of coupling are considered.

Superconductivity was observed in certain range of pressure and chemical composition in Weyl semimetals of both type I and type II (when the Dirac cone tilt parameter $\kappa >1$). Magnetic properties of these superconductors are studied on the basis of microscopic phonon-mediated pairing model. The Ginzburg-Landau effective theory for the order parameter is derived using the Gorkov approach and used to determine anisotropic coherence length, the penetration depth determining the Abrikosov parameter for a layered material and applied to recent extensive experiments on ${\text{MoTe}}_2$. It is found that superconductivity is of second kind near the topological transition at $\kappa =1$. For a larger tilt parameter, superconductivity becomes first kind. For $\kappa <1$, the Abrikosov parameter also tends to be reduced, often crossing over to the first kind. For the superconductors of the second kind, the dependence of critical fields $H_{c2}$ and $H_{c1}$ on the tilt parameter $\kappa$ (governed by pressure) is compared with the experiments. Strength of thermal fluctuations is estimated and it is found that they are strong enough to cause Abrikosov vortex lattice melting near $H_{c2}$. The melting line is calculated and is consistent with experiments provided the fluctuations are three dimensional in the type-I phase (large pressure) and two dimensional in the type-II phase (small pressure).

We develop a numerical method to compute the negativity, an entanglement measure for mixed states, between the impurity and the bath in quantum impurity systems at finite temperature. We construct a thermal density matrix by using the numerical renormalization group (NRG), and evaluate the negativity by implementing the NRG approximation that reduces computational cost exponentially. We apply the method to the single-impurity Kondo model and the single-impurity Anderson model. In the Kondo model, the negativity exhibits a power-law scaling at temperature much lower than the Kondo temperature and a sudden death at high temperature. In the Anderson model, the charge fluctuation of the impurity contributes to the negativity even at zero temperature when the on-site Coulomb repulsion of the impurity is finite, while at low temperature the negativity between the impurity spin and the bath exhibits the same power-law scaling behavior as in the Kondo model.

In condensed matter physics, topologically protected edge transportation has drawn extensive attention over recent years. Thus far, the topological valley edge states have been produced near the Dirac cones fixed at the high-symmetry points of the Brillouin zone. In this paper, we demonstrate a unique valleylike phononic crystal (PnC) with the position-varying Dirac cones at the high-symmetry lines of the Brillouin zone boundary. The emergence of such Dirac cones, characterized by the vortex structure in a momentum space, is attributed to the unavoidable band crossing protected by the mirror symmetry. The Dirac cones can be unbuckled and a complete band gap can be induced through breaking the mirror symmetry. Interestingly, by simply rotating the square columns, we realize the valleylike vortex states and the band inversion effect which leads to the valley Hall phase transition. Along the valleylike PnC interfaces separating two distinct acoustic valley Hall phases, the valleylike protected edge transport of sound in domain walls is observed in both the simulations and the experiments. These results are promising for the exploration of alternative topological phenomena in the valleylike PnCs beyond the graphenelike lattice.

The Kondo effect of a single magnetic impurity embedded in the Lieb lattice is studied by the numerical renormalization group. When the band flatness is present in the local density of states at the impurity site, it quenches the participation of all dispersive electrons in the Kondo singlet formation and reduces the many-body Kondo problem to a two-electron molecular Kondo problem. A quantum entanglement of two spins, which is the two-electron molecular analog of the many-body Kondo singlet, is stable at low temperature, and the impurity contributions to thermodynamical and dynamical quantities are qualitatively different from that obtained in the many-body Kondo effect. The conditions for existence of the molecular Kondo effect in narrow band systems are also presented.

We study the biexciton relaxation process in CuCl films ranging from 6 to 200 nm. The relaxation time is measured as the dephasing time and the lifetime. We observe a unique thickness dependence of the biexciton relaxation time and also obtain an ultrafast relaxation time with a timescale as short as 100 fs, while the exciton lifetime monotonically decreases with increasing thickness. By analyzing the exciton-photon coupling energy for a surface polariton, we theoretically calculate the biexciton relaxation time as a function of the thickness. The calculated dependence qualitatively reproduces the observed relaxation time, indicating that the biexciton dissociation into a surface polariton pair is one of the major biexciton relaxation processes.

We study theoretically the emission of dark solitons induced by a moving defect in a nonresonantly pumped exciton-polariton condensate. The number of created dark solitons per unit of time is found to be strongly dependent on the pump power. We relate the observed dynamics of this process to the oscillations of the drag force experienced by the condensate. We investigate the stability of the polariton quantum fluid and present various types of dynamics depending on the condensate and moving obstacle parameters. Furthermore, we provide analytical expressions for dark soliton dynamics using the variational method adapted to the nonequilibrium polariton system. The determined dynamical equations are found to be in excellent agreement with the results of numerical simulations.

We consider theoretically one-dimensional polariton ring accounting for both longitudinal-transverse (TE-TM) and Zeeman splittings of spinor polariton states and spin-dependent polariton-polariton interactions. We present a class of solutions in the form of the localized defects rotating with constant angular velocity and analyze their properties for realistic values of the parameters of the system. We show that the effects of the geometric phase arising from the interplay between the external magnetic field and the TE-TM splitting introduce chirality in the system and make solitons propagating in clockwise and anticlockwise directions nonequivalent. This can be interpreted as a solitonic analog of the Aharonov-Bohm effect.

In this work, we present a detailed photophysical analysis of recently discovered, optically stable single-photon emitters (SPEs) in gallium nitride (GaN). Temperature-resolved photoluminescence measurements reveal that the emission lines at 4 K are three orders of magnitude broader than the transform-limited width expected from excited-state lifetime measurements. The broadening is ascribed to ultrafast spectral diffusion. The photophysical study on several emitters at room temperature (RT) reveals an average brightness of $\left(427\pm 215\right)\mathrm{kCounts}/\mathrm{s}$. Finally, polarization measurements from 14 emitters are used to determine visibility as well as dipole orientation of defect systems within the GaN crystal. Our results underpin some of the fundamental properties of SPEs in GaN both at cryogenic and RT, and define the benchmark for future work in GaN-based single-photon technologies.

We propose atomic films of $n$-doped $\gamma$-InSe as a platform for intersubband optics in the infrared and far-infrared range, coupled to out-of-plane polarized light. Depending on the film thickness (number of layers) and the amount of $n$-doping of the InSe film, these transitions span from $\sim 0.7$ eV for bilayer to $\sim 0.05$ eV for 15-layer InSe. We use a hybrid $\mathbf{k}·\mathbf{p}$ theory and tight-binding model, fully parametrized using density-functional theory, to predict their oscillator strengths and thermal linewidths at room temperature.

The interactions between the layers of double-walled carbon nanotubes induce a measurable shift of the G bands relative to the isolated layers. While experimental data on this shift in freestanding double-walled carbon nanotubes has been reported in the past several years, a comprehensive theoretical description of the observed shift is still lacking. The prediction of this shift is important for supporting the assignment of the measured double-walled nanotubes to particular nanotube types. Here, we report a computational study of the G-band shift as a function of the semiconducting inner layer radius and interlayer separation. We find that with increasing interlayer separation, the G band shift decreases, passes through zero and becomes negative, and further increases in absolute value for the wide range of considered inner layer radii. The theoretical predictions are shown to agree with the available experimental data within the experimental uncertainty.

The identification of phases of matter is a challenging task, especially in quantum mechanics, where the complexity of the ground state appears to grow exponentially with the size of the system. Traditionally, physicists have to identify the relevant order parameters for the classification of the different phases. We here follow a radically different approach: we address this problem with a state-of-the-art deep learning technique, adversarial domain adaptation. We derive the phase diagram of the whole parameter space starting from a fixed and known subspace using unsupervised learning. This method has the advantage that the input of the algorithm can be directly the ground state without any ad hoc feature engineering. Furthermore, the dimension of the parameter space is unrestricted. More specifically, the input data set contains both labeled and unlabeled data instances. The first kind is a system that admits an accurate analytical or numerical solution, and one can recover its phase diagram. The second type is the physical system with an unknown phase diagram. Adversarial domain adaptation uses both types of data to create invariant feature extracting layers in a deep learning architecture. Once these layers are trained, we can attach an unsupervised learner to the network to find phase transitions. We show the success of this technique by applying it on several paradigmatic models: the Ising model with different temperatures, the Bose-Hubbard model, and the Su-Schrieffer-Heeger model with disorder. The method finds unknown transitions successfully and predicts transition points in close agreement with standard methods. This study opens the door to the classification of physical systems where the phase boundaries are complex such as the many-body localization problem or the Bose glass phase.

A new type of doubly ordered perovskite (also reported as double double perovskite, DDPv) structure combining columnar and rock-salt orders of the cations at the $A$ and $B$ sites, respectively, was recently found at high pressure for $\mathrm{Mn}R\mathrm{MnSb}{\mathrm{O}}_6$ ($R=\mathrm{La}\text{–}\mathrm{Sm}$). Here we report further magnetic structures of these compounds. $\mathrm{M}{\mathrm{n}}^{2+}$ spins align into antiparallel ferromagnetic sublattices along the $x$ axis for $\mathrm{MnLaMnSb}{\mathrm{O}}_6$, while the magnetic anisotropy of $\mathrm{P}{\mathrm{r}}^{3+}$ magnetic moments induces their preferential order along the $z$ direction for $\mathrm{MnPrMnSb}{\mathrm{O}}_6$. The magnetic structure of $\mathrm{MnNdMnSb}{\mathrm{O}}_6$ was reported to show a spin-reorientation transition of $\mathrm{M}{\mathrm{n}}^{2+}$ spins from the $z$ axis towards the $x$ axis driven by the ordering of $\mathrm{N}{\mathrm{d}}^{3+}$ magnetic moments. The crystal-field parameters for $\mathrm{P}{\mathrm{r}}^{3+}$ and $\mathrm{N}{\mathrm{d}}^{3+}$ at the $4e{C}_2$ site of their DDPv structure have been semiempirically estimated and used to derive their energy levels and associated wave functions. The results demonstrate that the spin-reorientation transition in $\mathrm{MnNdMnSb}{\mathrm{O}}_6$ arises as a consequence of the crystal-field-induced magnetic anisotropy of $\mathrm{N}{\mathrm{d}}^{3+}$.

A quantized magnetization plateau is usually not expected when a classic spin-flop transition occurs in a low-dimensional antiferromagnet. Here, we report an experimental observation of a spin-flop transition followed by a wide half-magnetization plateau in the $S=1$ skew-chain system ${\mathrm{Ni}}_2{\mathrm{V}}_2{\mathrm{O}}_7$. This plateau, which is stabilized in fields of 8–30 T, is realized through an exotic nematiclike phase transition for magnetic fields applied along all three crystallographic axes, resulting in rich anisotropic phase diagrams. We discuss a possible mechanism whereby the magnetic frustration and interchain interactions may cause this half-magnetization plateau, which is in agreement with our exact diagonalization result.