Abstract: We consider magnetic flux moving in superconductors with periodic pinning arrays. We show that sample heating by moving vortices produces negative differential resistivity (NDR) of both N and S type (i.e., N- and S-shaped) in the voltage-current characteristic (VI curve). The uniform flux flow state is unstable in the NDR region of the VI curve. Domain structures appear during the NDR part of the VI curve of an N type, while a filamentary instability is observed for the NDR of an S type. The simultaneous existence of the NDR of both types gives rise to the appearance of striking self-organized (both stationary and nonstationary) two-dimensional dynamical structures.

Abstract: The behavior of nanoparticles in a low-pressure silane discharge is studied with the use of a self-consistent one-dimensional fluid model. Nanoparticles of a given (prescribed) radius are formed in the discharge by the incorporation of a dust growth mechanism, i.e., by including a step in which large anions (typically Si12H−25), produced in successive chemical reactions of anions with silane molecules, are transformed into particles. Typically a few thousand anions are used for one nanoparticle. The resulting particle density and the charge on the particles are calculated with an iterative method. While the spatial distribution and the charge of the particles are influenced by the plasma, the presence of the nanoparticles will in turn influence the plasma properties. Several simulations with different particle radii are performed. The resulting density profile of the dust will greatly depend on the particle size, as it reacts to the shift of the balance of the different forces acting on the particles.

Abstract: An external electric field changes the physical properties of polar liquids due to the reorientation of their permanent dipoles. Using molecular dynamics simulations, we predict that an in-plane electric field applied parallel to the channel polarizes water molecules which are confined between two graphene layers, resulting in distinct ferroelectricity and electrical hysteresis. We found that electric fields alter the in-plane order of the hydrogen bonds: Reversing the electric field does not restore the system to the nonpolar initial state, instead a residual dipole moment remains in the system. The square-rhombic structure of 2D ice is transformed into two rhombic-rhombic structures. Our study provides insights into the ferroelectric state of water when confined in nanochannels and shows how this can be tuned by an electric field.

Abstract: Within the time-dependent Ginzburg-Landau theory we study the dynamic properties of current-carrying superconducting strips in the presence of a perpendicular magnetic field. We found pronounced voltage peaks as a function of the magnetic field, the amplitude of which depends both on sample dimensions and external parameters. These voltage oscillations are a consequence of moving vortices, which undergo alternating static and dynamic phases. At higher fields or for high currents, the continuous motion of vortices is responsible for the monotonic background on which the resistance oscillations due to the entry of additional vortices are superimposed. Mechanisms for such vortex-assisted resistance oscillations are discussed. Qualitative changes in the magnetoresistance curves are observed in the presence of random defects, which affect the dynamics of vortices in the system.

Abstract: Monte Carlo (MC) methods have a long-standing history as partners of molecular dynamics (MD) to simulate the evolution of materials at the atomic scale. Among these techniques, the uniform-acceptance force-bias Monte Carlo (UFMC) method [ G. Dereli Mol. Simul. 8 351 (1992)] has recently attracted attention [ M. Timonova et al. Phys. Rev. B 81 144107 (2010)] thanks to its apparent capacity of being able to simulate physical processes in a reduced number of iterations compared to classical MD methods. The origin of this efficiency remains, however, unclear. In this work we derive a UFMC method starting from basic thermodynamic principles, which leads to an intuitive and unambiguous formalism. The approach includes a statistically relevant time step per Monte Carlo iteration, showing a significant speed-up compared to MD simulations. This time-stamped force-bias Monte Carlo (tfMC) formalism is tested on both simple one-dimensional and three-dimensional systems. Both test-cases give excellent results in agreement with analytical solutions and literature reports. The inclusion of a time scale, the simplicity of the method, and the enhancement of the time step compared to classical MD methods make this method very appealing for studying the dynamics of many-particle systems.

Abstract: The vortex-vortex interaction potential in bulk superconductors is calculated within the Ginzburg-Landau (GL) theory and is obtained from a numerical solution of a set of two coupled nonlinear GL differential equations for the vector potential and the superconducting order parameter, where the merger of vortices into a giant vortex is allowed. Further, the interaction potentials between a vortex and a giant vortex and between a vortex and an antivortex are obtained for both type-I and type-II superconductors. Our numerical results agree asymptotically with the analytical expressions for large intervortex separations that are available in the literature. We propose empirical expressions valid over the full interaction range, which are fitted to our numerical data for different values of the GL parameter.

Abstract: Electron transport through multiterminal rectangular arrays of quantum rings is studied in the presence of Rashba-type spin-orbit interaction (SOI) and of a perpendicular magnetic field. Using the analytic expressions for the transmission and reflection coefficients for single rings we obtain the conductance through such arrays as a function of the SOI strength, of the magnetic flux, and of the wave vector k of the incident electron. Due to destructive or constructive spin interferences caused by the SOI, the array can be totally opaque for certain ranges of k, while there are parameter values where it is completely transparent. Spin resolved transmission probabilities show nontrivial spin transformations at the outputs of the arrays. When pointlike random scattering centers are placed between the rings, the Aharonov-Bohm peaks split, and an oscillatory behavior of the conductance emerges as a function of the SOI strength.

Abstract: Recent theoretical and experimental developments in the field of electron-vortex-beam physics have raised questions about what exactly this novelty in the field of electron microscopy (and other fields, such as particle physics) really provides. An important part of the answer to these questions lies in scattering theory. The present investigation explores various aspects of inelastic quantum scattering theory for cylindrically symmetric beams with orbital angular momentum. The model system of Coulomb scattering on a hydrogen atom provides the setting to address various open questions: How is momentum transferred? Do vortex beams selectively excite atoms, and how can one employ vortex beams to detect magnetic transitions? The analytical approach presented here provides answers to these questions. OAM transfer is possible, but not through selective excitation; rather, by pre- and postselection one can filter out the relevant contributions to a specific signal.

Abstract: Recent findings revealed that surface oxygen can participate in the oxygen evolution reaction (OER) for the most active catalysts, which eventually triggers a new mechanism for which the deprotonation of surface intermediates limits the OER activity. We propose in this work a “dual strategy” in which tuning the electronic properties of the oxide, such as La1-xSrxCoO3-delta, can be dissociated from the use of surface functionalization with phosphate ion groups (P-i) that enhances the interfacial proton transfer. Results show that the P-i functionalized La0.5Sr0.5CoO3-delta gives rise to a significant enhancement of the OER activity when compared to La0.5Sr0.5Co3-delta and LaCoO3. We further demonstrate that the P-i surface functionalization selectivity enhances the activity when the OER kinetics is limited by the proton transfer. Finally, this work suggests that tuning the catalytic activity by such a “dual approach” may be a new and largely unexplored avenue for the design of novel high-performance catalysts.

Abstract: The metallic interface between two oxide insulators, such as LaAlO3/SrTiO3 (LAO/STO), provides new opportunities for electronics and spintronics. However, due to the presence of multiple orbital populations, tailoring the interfacial properties such as the ground state and metal-insulator transitions remains challenging. Here, an unforeseen tunability of the phase diagram of LAO/STO is reported by alloying LAO with a ferromagnetic LaMnO3 insulator without forming lattice disorder and at the same time without changing the polarity of the system. By increasing the Mn-doping level, x, of LaAl1-xMnxO3/STO (0 <= x <= 1), the interface undergoes a Lifshitz transition at x = 0.225 across a critical carrier density of n(c) = 2.8 x 10(13) cm(-2), where a peak T-SC approximate to 255 mK of superconducting transition temperature is observed. Moreover, the LaAl1-xMnxO3 turns ferromagnetic at x >= 0.25. Remarkably, at x = 0.3, where the metallic interface is populated by only d(xy) electrons and just before it becomes insulating, a same device with both signatures of superconductivity and clear anomalous Hall effect (7.6 x 10(12) cm(-2) < n(s) <= 1.1 x 10(13) cm(-2)) is achieved reproducibly. This provides a unique and effective way to tailor oxide interfaces for designing on-demand electronic and spintronic devices.

Abstract: Statistical parameter estimation theory is proposed as a quantitative method to measure unknown structure parameters from electron microscopy images. Images are then purely considered as data planes from which structure parameters have to be determined as accurately and precisely as possible using a parametric statistical model of the observations. For this purpose, an efficient algorithm is proposed for the estimation of atomic column positions and intensities from high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) images. Furthermore, the so-called CramérRao lower bound (CRLB) is reviewed to determine the limits to the precision with which continuous parameters such as atomic column positions and intensities can be estimated. Since this lower bound can only be derived for continuous parameters, alternative measures using the principles of detection theory are introduced for problems concerning the estimation of discrete parameters such as atomic numbers. An experimental case study is presented to show the practical use of these measures for the optimization of the experiment design if the purpose is to decide between the presence of specific atom types using STEM images.

Abstract: A hybrid model, called the hybrid plasma equipment model, was used to study Ar/Cl(2) inductively coupled plasmas used for the etching of Si. The effects of substrate bias, source power and gas pressure on the plasma characteristics and on the fluxes and energies of plasma species bombarding the substrate were observed. A comparison with experimentally measured etch rates was made to investigate how the etch process is influenced and which plasma species mainly account for the etch process. First, the general plasma characteristics are investigated at the following operating conditions: 10% Ar 90% Cl(2) gas mixture, 5mTorr total gas pressure, 100 sccm gas flow rate, 250W source power, -200V dc bias at the substrate electrode and an operating frequency of 13.56MHz applied to the coil and to the substrate electrode. Subsequently, the pressure is varied from 5 to 80mTorr, the substrate bias from -100 to -300V and the source power from 250 to 1000W. Increasing the total gas pressure results in a decrease of the etch rate and a less anisotropic flux to the substrate due to more collisions of the ions in the sheath. Increasing the substrate bias has an effect on the energy of the ions bombarding the substrate and to a lesser extent on the magnitude of the ion flux. When source power is increased, it was found that, not the energy, but the magnitude of the ion flux is increased. The etch rate was more influenced by a variation of the substrate bias than by a variation of the source power, at these operating conditions. These results suggest that the etch process is mainly affected by the energy of the ions bombarding the substrate and the magnitude of the ion flux, and to a lesser extent by the magnitude of the radical flux.

Abstract: The present study focuses on the role of mass removal mechanisms in ns-laser ablation. A copper sample is placed in argon, initially set at standard pressure and temperature. Calculations are performed for a 6 ns laser pulse with a wavelength of 532 nm and laser fluences up to 10 J/cm2. The transient behavior in and above the copper target is described by a hydrodynamic model. Transmission profiles and ablation depths are compared with experimental results and similar trends are found. Our calculations reveal an interesting self-inhibiting mechanism: volumetric mass removal in the supercritical region triggers plasma shielding and therefore stops proceeding. This self-limiting process indicates that volumetric mass removal does not necessarily result in large ablation depths.