We have investigated the signatures of zero-energy Majorana fermions in an anisotropic semiconductor quantum ring that contains a few electrons, has a strong spin-orbit interaction, and proximity coupled to an $s$-wave superconductor. We have found that for rings with sizes of few hundred angstroms and for certain range of values of the chemical potential and an applied magnetic field, the system is very likely in a topological phase with possible indications of the presence of Majorana fermions. In particular, the ground-state energies and the average electron numbers for the states with even and odd electron numbers are almost identical. We have analyzed the wave functions of Majorana fermions in the ring and have shown that Majorana fermions are well separated from each other in the angular coordinates. We have also determined the charge-density jumps due to the presence of the Majoranas, that are found to be uniformly distributed along the ring and can perhaps be detected by scanning charge measurements. While a definitive proof of the existence of these exotic particles in a ring has not been provided here, our study indicates the likelihood of the presence of these objects in our chosen system. As the semiconductor quantum rings with a few interacting electrons are available in the laboratories, we believe that the long sought-after Majorana fermions could perhaps be observed in such a system.

There has been tremendous progress in manipulating electron and hole-spin states in quantum dots or quantum dot molecules (QDMs) with growth-direction (vertical) electric fields and optical excitations. However, the response of carriers in QDMs to an in-plane (lateral) electric field remains largely unexplored. We computationally explore spin-mixing interactions in the molecular states of single holes confined in vertically stacked InAs/GaAs QDMs using atomistic tight-binding simulations. We systematically investigate QDMs with different geometric structure parameters and local piezoelectric fields. We observe both a relatively large Stark shift and a change in the Zeeman splitting as the magnitude of the lateral electric field increases. Most importantly, we observe that lateral electric fields induce hole-spin mixing with a magnitude that increases with increasing lateral electric field over a moderate range. These results suggest that applied lateral electric fields could be used to fine tune and manipulate, in situ, the energy levels and spin properties of single holes confined in QDMs.

A theory of local temperature measurement of an interacting quantum electron system far from equilibrium via a floating thermoelectric probe is developed. It is shown that the local temperature so defined is consistent with the zeroth, first, second, and third laws of thermodynamics, provided the probe-system coupling is weak and broadband. For non-broadband probes, the local temperature obeys the Clausius form of the second law and the third law exactly, but there are corrections to the zeroth and first laws that are higher order in the Sommerfeld expansion. The corrections to the zeroth and first laws are related, and can be interpreted in terms of the error of a nonideal temperature measurement. These results also hold for systems at negative absolute temperature.

Scandium fluoride (${\mathrm{ScF}}_3$), having cubic ${\mathrm{ReO}}_3$-type structure, has attracted much scientific attention due to its rather strong negative thermal expansion (NTE) in the broad temperature range from 10 to 1100 K. Here we use the results of diffraction and extended x-ray absorption fine-structure (EXAFS) spectroscopy to interpret the influence of NTE on the temperature dependence of infrared absorption spectra of ${\mathrm{ScF}}_3$. Original infrared absorption and EXAFS experiments in a large temperature range are presented and interpreted using ab initio lattice dynamics simulations within and beyond quasiharmonic approximations. We demonstrate that ab initio electronic structure calculations, based on the linear combination of atomic orbitals method with hybrid functionals, are able to reproduce well the experimental values of lattice parameter $a_0$, band gap $E_g$, and lattice dynamics in ${\mathrm{ScF}}_3$. However, the simulations performed within quasiharmonic approximation fail to reproduce the temperature dependence of two infrared active bands due to the F–Sc–F bending (at 220 ${\mathrm{cm}}^{-1}$) and Sc–F stretching (at 520 ${\mathrm{cm}}^{-1}$) modes present in the infrared absorption spectra. To overcome this problem, an approach beyond the quasiharmonic approximation is proposed: It accounts for the negative thermal expansion of the lattice and for fluorine atom displacements due to strong F vibrational motion perpendicular to the cubic axes and allows us to explain qualitatively the temperature behavior of infrared spectra of ${\mathrm{ScF}}_3$.

Motivated by understanding the emergence of thermodynamic restoring forces and oscillations, we develop a quantum-mechanical model of a bath of spins coupled to the elasticity of a material. We show our model reproduces the behavior of a variety of entropic springs while enabling investigation of nonequilibrium resonator states in the quantum domain. We find our model emerges naturally in disordered elastic media, such as glasses, and is an additional expected effect in systems with anomalous specific heat and $1/f$ noise at low temperatures due to two-level systems that fluctuate.

Topological magnon insulators are a new class of magnetic materials that possess topologically nontrivial magnon bands. As a result, magnons in these materials display properties analogous to those of electrons in topological insulators. Here we present magnetization, specific heat, and neutron scattering measurements of the ferromagnetic kagome magnet Cu(1,3-bdc). Our measurements provide a detailed description of the magnetic structure and interactions in this material and confirm that it is an ideal prototype for topological magnon physics in a system with a simple spin Hamiltonian.

We consider conditions under which photonic crystals (PCs) can be homogenized in the higher photonic bands and, in particular, near the $\mathrm{\Gamma }$ point. By homogenization we mean introducing some effective local parameters ${\epsilon }_{\mathrm{eff}}$ and ${\mu }_{\mathrm{eff}}$ that describe reflection, refraction, and propagation of electromagnetic waves in the PC adequately. The parameters ${\epsilon }_{\mathrm{eff}}$ and ${\mu }_{\mathrm{eff}}$ can be associated with a hypothetical homogeneous effective medium. In particular, if the PC is homogenizable, the dispersion relations and isofrequency lines in the effective medium and in the PC should coincide to some level of approximation. We can view this requirement as a necessary condition of homogenizability. In the vicinity of a $\mathrm{\Gamma }$ point, real isofrequency lines of two-dimensional PCs can be close to mathematical circles, just like in the case of isotropic homogeneous materials. Thus, one may be tempted to conclude that introduction of an effective medium is possible and, at least, the necessary condition of homogenizability holds in this case. We, however, show that this conclusion is incorrect: complex dispersion points must be included into consideration even in the case of strictly nonabsorbing materials. By analyzing the complex dispersion relations and the corresponding isofrequency lines, we have found that two-dimensional PCs with $C_4$ and $C_6$ symmetries are not homogenizable in the higher photonic bands. We also draw a distinction between spurious $\mathrm{\Gamma }$-point frequencies that are due to Brillouin-zone folding of Bloch bands and “true” $\mathrm{\Gamma }$-point frequencies that are due to multiple scattering. Understanding of the physically different phenomena that lead to the appearance of spurious and “true” $\mathrm{\Gamma }$-point frequencies is important for the theory of homogenization.

In a magnetic field, superconductivity is manifested by total magnetic field expulsion (Meissner effect) or by the penetration of integer multiples of the flux quantum ${\mathrm{\Phi }}_0$. Here we present experimental results revealing magnetic dipoles formed by Meissner current flowing around artificially introduced topological defects (lattice of antidots). By using scanning Hall probe microscopy, we have detected ordered magnetic dipole lattice generated at spatially periodic antidots in a Pb superconducting film. While the conventional homogeneous Meissner state breaks down, the total magnetic flux of the magnetic dipoles remains quantized and is equal to zero. The observed magnetic dipoles strongly depend on the intensity and direction of the locally flowing Meissner current, making the magnetic dipoles an effective way to monitor the local supercurrent. We have also investigated the first step of the vortex depinning process, where, due to the generation of magnetic dipoles, the pinned Abrikosov vortices are deformed and shifted from their original pinning sites.

Nanowires of two-dimensional (2D) crystals of type-II superconductor ${\mathrm{NbSe}}_2$ prepared by electron-beam lithography were studied, focusing on the effect of the motion of Abrikosov vortices. We present magnetoresistance measurements on these nanowires and show features related to vortex crossing, trapping, and pinning. The vortex crossing rate was found to vary nonmonotonically with the applied field, which results in nonmonotonic magnetoresistance variations in agreement with theoretical calculations in the London approximation. Above the lower critical field $H_{c1}$ the crossing rate is also influenced by vortices trapped by sample boundaries or pinning centers, leading to sample-specific magnetoresistance patterns. We show that the local pinning potential can be modified by intentionally introducing surface adsorbates, making the magnetoresistance pattern a “magnetofingerprint” of the sample-specific configuration of vortex pinning centers in a 2D crystal superconducting nanowire.

The real-time dynamics of the Fermi-Hubbard model, driven out of equilibrium by quenching or ramping the interaction parameter, is studied within the framework of the nonequilibrium self-energy functional theory. A dynamical impurity approximation with a single auxiliary bath site is considered as a reference system, and the time-dependent hybridization is optimized as prescribed by the variational principle. The dynamical two-site approximation turns out to be useful to study the real-time dynamics on short and intermediate time scales. Depending on the strength of the interaction in the final state, two qualitatively different response regimes are observed. For both weak and strong couplings, qualitative agreement with previous results of nonequilibrium dynamical mean-field theory is found. The two regimes are sharply separated by a critical point at which the low-energy bath degree of freedom decouples in the course of time. We trace the dependence of the critical interaction of the dynamical Mott transition on the duration of the interaction ramp from sudden quenches to adiabatic dynamics and therewith link the dynamical to the equilibrium Mott transition.

We analyze a model of itinerant electrons interacting through a quadrupole density-density repulsion in three dimensions. At the mean-field level, the interaction drives a continuous Pomeranchuk instability towards $d$-wave, spin-triplet nematic order, which simultaneously breaks the SU(2) spin-rotation and spatial-rotation symmetries. This order is characterized by spin-antisymmetric, elliptical deformations of the Fermi surfaces of up and down spins. We show that the effects of quantum fluctuations are similar to those in metallic ferromagnets, rendering the nematic transition first order at low temperatures. Using the fermionic quantum order-by-disorder approach to self-consistently calculate fluctuations around possible modulated states, we show that the first-order transition is preempted by the formation of a helical spin-triplet $d$-density wave. Such a state is closely related to $d$-wave bond density wave order in square-lattice systems. Moreover, we show that it may coexist with a modulated, $p$-wave superconducting state.

In this paper we study in detail the effect of the rotational alignment between a hexagonal boron nitride ($h$-BN) slab and the graphene layers in the vertical current of a a $\text{graphene}/h-\mathrm{BN}/\text{graphene}$ device. We show how for small rotational angles, the transference of momentum by the $h-\mathrm{BN}$ crystal lattice leads to multiple peaks in the $I-V$ curve of the device, giving origin to multiple regions displaying negative differential conductance. We also study the effect of scattering by phonons in the vertical current and see how the opening up of inelastic tunneling events allowed by spontaneous emission of optical phonons leads to sharp peaks in the second derivative of the current.

Electrostatic gating enables key functionality in modern electronic devices by altering the properties of materials. While classical electrostatics is usually sufficient to understand the effects of gating in extended systems, the inherent quantum properties of gating in nanostructures offer unexplored opportunities for materials and devices. Using first-principles calculations for Co/bilayer graphene, Co/BN/graphene, and Co/BN/benzene, as well as a simple physical model, we show that heterostructures with two-dimensional materials yield tunable magnetic proximity effects. van der Waals bonding is identified as a requirement for large electronic structure changes by gating, enabling both the magnitude and sign change of spin polarization in physisorbed graphene. The ability to electrically reverse the spin polarization of an electrode provides an alternative to using the applied magnetic field or spin transfer torque in spintronic devices, thus transforming a spin valve into a spin transistor.

This paper demonstrates charge order is important in dimerized $\beta$- and $\kappa$-phase organic conductors similar to the uniform $\theta$- and $\alpha$-phase conductors. Here the magnitude of the dimerization represents the deviation from the ideal triangular lattice in analogy with the anisotropy in the $\theta$ phase. Since the ratio of the intradimer transfer integral to the interdimer transfer integral is as large as $\sim 2.6$, these dimerized phases lead to a dimer Mott insulator, whereas the Coulomb repulsion is closer to the triangular lattice because the ratio of the intradimer Coulomb repulsion to the interdimer Coulomb repulsion is comparatively small ($\sim 1.7$). Accordingly, in the static-limit calculation, non-stripe charge order with threefold periodicity appears between the uniform and the stripe phases, and the analogy with the $\theta$ phase suggests the first-order nature of the metal-insulator transition.

By solving the Boltzmann transport equation we investigate theoretically the general form of oscillations in the resistivity caused by varying the direction of an applied magnetic field for the case of quasi-two-dimensional systems on hexagonal lattices. The presence of the angular magnetoresistance oscillations can be used to map out the topology of the Fermi surface and we study how this effect varies as a function of the degree of interplane warping as well as a function of the degree of isotropic scattering. We find that the angular-dependent effect due to in-plane rotation follows the symmetry imposed by the lattice whereas for interplane rotation the degree of warping dictates the dominant features observed in simulations. Our calculations make predictions for specific angle-dependent magnetotransport signatures in magnetic fields expected for quasi-two-dimensional hexagonal compounds similar to ${\mathrm{PdCoO}}_2$ and ${\mathrm{PtCoO}}_2$.

A model able to explain the complicated structure of electronic stopping at low velocities in insulating materials is presented. It is shown to be in good agreement with results obtained from time-dependent density-functional theory for the stopping of a channeling Si atom in a Si crystal. If we define the repeat frequency $f=v/\lambda$, where $\lambda$ is the periodic repeat length of the crystal along the direction the channeling atom is traveling, and $v$ is the velocity of the channeling atom, we find that electrons experience a perturbing force that varies in time at integer multiples $l$ of $f$. This enables electronic excitations at low atom velocity, but their contributions diminish rapidly with increasing values of $l$. The expressions for stopping power are derived using adiabatic perturbation theory for many-electron systems, and they are then specialized to the case of independent electrons. A simple model for the nonadiabatic matrix elements is described, along with the procedure for determining its parameters.

Incorporation of inorganic phosphors to improve the spectral absorption range of a dye-sensitized solar cell (DSSC) is a promising strategy to enhance efficiency beyond 15%. However, only marginal improvements have been achieved so far, which is mainly due to the use of nonoptimized device architecture and the lack of understanding of the energy transfer mechanism. Here we report results of DSSCs employing long-persistence phosphor coupled to the sensitizing dye. Detailed time-resolved photoluminescence measurements suggest that excitation energy is transferred radiatively as opposed to Förster resonance energy transfer. As a result of efficient energy transfer, large-area solar cells show a 63% increase in the photocurrent density along with a 54% increase in power conversion efficiency. In addition, the device works as a “nighttime solar cell” with generation of $52\mu \mathrm{W}\mathrm{c}{\mathrm{m}}^{-2}$ power density in the dark. Under short-circuit conditions, the device can output 300 mV for 30 h in the dark.

We introduce a one-dimensional (1D) pseudospin model on a ladder where the Ising interactions along the legs and along the rungs alternate between $X_i{X}_{i+1}$ and $Z_i{Z}_{i+1}$ for even/odd bond (rung). We include also the next-nearest-neighbor Ising interactions on plaquettes' diagonals that alternate in such a way that a model where only leg interactions are switched on is equivalent to the one when only the diagonal ones are present. Thus in the absence of rung interactions the model can interpolate between two 1D compass models. The model possesses local symmetries which are the parities within each $2\times 2$ cell (plaquette) of the ladder. We find that for different values of the interaction it can realize ground states that differ by the patterns formed by these local parities. By exact diagonalization we derive detailed phase diagrams for small systems of $L=4$, 6, and 8 plaquettes, and use next $L=12$ to identify generic phases that appear in larger systems as well. Among them we find a nematic phase with macroscopic degeneracy when the leg and diagonal interactions are equal and the rung interactions are larger than a critical value. By performing a perturbative expansion around this phase we find indeed a very complex competition around the nematic phase which has to do with releasing frustration in this range of parameters. The nematic phase is similar to the one found in the two-dimensional compass model. For particular parameters the low-energy sector of the present plaquette model reduces to a 1D compass model with spins $S=1$ which suggests that it realizes peculiar crossovers within the class of compass models. Finally, we show that the model can realize phases with broken translation invariance which can be either dimerized, trimerized, etc., or completely disordered and highly entangled in a well identified window of the phase diagram.