Symmetry Of Potential Research Articles

A Green's function formulation of the [formula omitted] theory in the presence of spin-orbit interaction and magnetic field: Application to the electronic structure and related properties of w-GaN

We use a Green's function perturbation formalism in the presence of an applied magnetic field and spin-orbit effects in the effective mass representation (EMR). The lack of lattice translational symmetry of the vector potential in the presence of the magnetic field is considered by redefining the Green's function in terms of the Peierls' phase factor. The equation of motion of the Green's function as a function of a magnetic wave vector was solved using perturbation theory, leading to expressions for the effective mass and the g-factor. We study the electronic structure of wurtzite GaN theoretically using the resulting k→·π→ method, where k→ is the electronic wave vector and π→ is the relativistic momentum operator by considering the conduction band edge and three valence bands. The k→·π→ Hamiltonians for the conduction band edge and the valence bands are diagonalized, considering the conduction band and one valence band at a time. We obtain electron and hole dispersions. Effects of other bands are considered by using perturbation theory. Resulting dispersions agree with the results of other calculations. In order to study the effective mass and the g-factor, we use the eigenvalues and eigenfunctions obtained after the diagonalization. Our results for the effective masses and the g-factors agree fairly well with available theoretical and experimental results, Temperature dependence of both the electronic effective mass and g-factor is studied and trends obtained agree with the existing experimental data.

Simulating electron wave dynamics in graphene superlattices exploiting parallel processing advantages

This work introduces a parallel computing framework to characterize the propagation of electron waves in graphene-based nanostructures. The electron wave dynamics is modeled using both “microscopic” and effective medium formalisms and the numerical solution of the two-dimensional massless Dirac equation is determined using a Finite-Difference Time-Domain scheme. The propagation of electron waves in graphene superlattices with localized scattering centers is studied, and the role of the symmetry of the microscopic potential in the electron velocity is discussed. The computational methodologies target the parallel capabilities of heterogeneous multi-core CPU and multi-GPU environments and are built with the OpenCL parallel programming framework which provides a portable, vendor agnostic and high throughput-performance solution. The proposed heterogeneous multi-GPU implementation achieves speedup ratios up to 75x when compared to multi-thread and multi-core CPU execution, reducing simulation times from several hours to a couple of minutes. Program summaryProgram title: GslSim.Program Files doi:http://dx.doi.org/10.17632/prmfv63nj6.1Licensing provisions: GPLv3.Programming language: C, OpenCL and Matlab for results analysis.Nature of problem: Computing the time evolution of electron waves in graphene superlattices is a time consuming process due to the high number of necessary nodes to discretize the spatial and time domains.Solution method: We develop a simulator based on the C/OpenCL standards to study the time evolution of electron waves in graphene superlattices by exploiting hardware architectures such as graphics processing units (GPUs) to speedup the computation of the pseudospinor.

Harmonic generation in the generalized Sagdeev pseudopotential

In this paper, we study the nonlinear harmonic generation effect in different oscillator models. For weakly nonlinear systems, we use the generalized forced Korteweg de Vries Burgers (KdVB) and modified KdVB (mKdVB) models in order to classify three fundamentally different harmonic structures in a nonlinear dynamical system. The first is called the internal harmonic structure which exists due to the self oscillation of the system in the absence of dissipation effect and is shown to follow either relations of nf or (2n – 1)f depending on the symmetry of oscillator potential in which n is an integer number and f is the fundamental frequency which is exactly obtained for the Helmholtz oscillator. The second structure is the resonant harmonics which appears in the presence of damping and follows the harmonic structure nf0 in which f0 is the linear resonance frequency. Finally, the last harmonic structure appears in the presence of dissipation and external periodic forcing effects which we call the external harmonic pattern. It is shown that the external harmonic pattern, in which f1 is the driving frequency, always follows the nf1 rule regardless of the potential symmetry. We then extend our analysis to study the harmonic generation in the fully nonlinear generalized Sagdeev potential for real plasmas with isothermal and adiabatic ion fluids and investigate the effects of different plasma parameters such as the fractional ion temperature and normalized ion acoustic speed on all three kinds of harmonic generation.

Magneto-optical conductivity of double Weyl semimetals

We investigate the magneto-optical response of double Weyl semimetals whose energy dispersion is intrinsically anisotropic. We find that in the presence of a magnetic field, the most salient feature of the optical conductivity is a series of resonant peaks with the corresponding frequencies scaling linearly with the strength of the magnetic field. In addition, the optical conductivity is found to be anisotropic, with two of the three longitudinal components residing at a linear background and the remaining one at a constant background. The effects of chemical potential, temperature, impurity scattering, and particle-hole symmetry breaking on the optical conductivity are also studied.

Anharmonicity induced thermal modulation in stressed graphene

Thermal properties are essentially decided by atomic geometry and thus stress is the most direct way for manipulating. In this paper, we investigate stress modulation of thermal conductivity of graphene by molecular dynamics simulations and discuss the underlying microscopic mechanism. It is found that thermal conductivity of flexural-free graphene increases with compression and decreases with strain, while thermal conductivity of flexural-included graphene decreases with both compression and strain. Such difference in thermal behavior originates from the changes in the anharmonicity of the interatomic potential, where the wrinkle scattering is responsible for the thermal conductivity diminishment in flexural-included graphene under strain. By comparing the results obtained from the Tersoff and AIREBO potentials, it is revealed that the degree of the symmetry of interatomic potential determines the thermal conductivity variation of graphene. Our results indicate that the symmetry of interatomic potential should be taken into careful consideration in constructing the lattice model of graphene.

THE PARALLEL IMPLEMENTATION OF ALGORITHMS FOR FINDING THE REFLECTION SYMMETRY OF THE BINARY IMAGES

Abstract. In this paper, we investigate the exact method of searching an axis of binary image symmetry, based on brute-force search among all potential symmetry axes. As a measure of symmetry, we use the set-theoretic Jaccard similarity applied to two subsets of pixels of the image which is divided by some axis. Brute-force search algorithm definitely finds the axis of approximate symmetry which could be considered as ground-truth, but it requires quite a lot of time to process each image. As a first step of our contribution we develop the parallel version of the brute-force algorithm. It allows us to process large image databases and obtain the desired axis of approximate symmetry for each shape in database. Experimental studies implemented on “Butterflies” and “Flavia” datasets have shown that the proposed algorithm takes several minutes per image to find a symmetry axis. However, in case of real-world applications we need computational efficiency which allows solving the task of symmetry axis search in real or quasi-real time. So, for the task of fast shape symmetry calculation on the common multicore PC we elaborated another parallel program, which based on the procedure suggested before in (Fedotova, 2016). That method takes as an initial axis the axis obtained by superfast comparison of two skeleton primitive sub-chains. This process takes about 0.5 sec on the common PC, it is considerably faster than any of the optimized brute-force methods including ones implemented in supercomputer. In our experiments for 70 percent of cases the found axis coincides with the ground-truth one absolutely, and for the rest of cases it is very close to the ground-truth.

Noise cross-correlation and Cooper pair splitting efficiency in multi-teminal superconductor junctions

We analyze the non-local shot noise in a multi-terminal junction formed by two Normal metal leads connected to one superconductor. Using the cross Fano factor and the shot noise, we calculate the efficiency of the Cooper pair splitting. The method is applied to d-wave and iron based superconductors. We determine that the contributions to the noise cross-correlation are due to crossed Andreev reflections (CAR), elastic cotunneling, quasiparticles transmission and local Andreev reflections. In the tunneling limit, the CAR contribute positively to the noise cross-correlation whereas the other processes contribute negatively. Depending on the pair potential symmetry, the CAR are the dominant processes, giving as a result a high efficiency for Cooper pair split. We propose the use of the Fano factor to test the efficiency of a Cooper pair splitter device.

Potential Symmetries, Lie Transformation Groups and Exact Solutions of Kdv-Burgers Equation

Potential Symmetries, Lie Transformation Groups and Exact Solutions of Kdv-Burgers Equation

Superconducting instability of a non-centrosymmetric system

The Fermi gas approach to the weak-coupling superconductivity in the non-centrosymmetric systems lead to a conclusion of an approximately spin-orbit coupling independent critical temperature of the singlet states as well as the triplet states defined by the order parameter aligned with the antisymmetric spin-orbit coupling vector. We indicate that the above results follow from a simplified approximation of a density of states by a constant Fermi surface value. Such a scenario does not properly account for the spin-split quasiparticle energy spectrum and reduces the spin-orbit coupling influence on superconductivity to the bare pair-breaking effect of a lifted spin degeneracy. Applying the tight-binding model, which captures the primary features of the spin-split energy band, i.e., its enhanced width and the spin-orbit coupling induced redistribution of the spectral weights in the density of states, we calculate the critical temperature of a non-centrosymmetric superconductor. We report a general tendency of the critical temperature to be suppressed by the antisymmetric spin-orbit coupling. We indicate that, the monotonic decrease of the critical temperature may be altered by the spin-orbit coupling induced van Hove singularities which, when driven to the Fermi level, generate maxima in the phase diagram. Extending our considerations to the intermediate-coupling superconductivity we point out that the spin-orbit coupling induced change of the critical temperature depends on the structure of the electronic energy band and both – the strength and symmetry of the pair potential. Finally, we discuss the mixed singlet-triplet state superconducting instability and establish conditions concerning the symmetry of the singlet and triplet counterparts as well as the range of the spin-orbit coupling energy which make such a phase transition possible.

Symmetrical and asymmetrical voice systems and processing load: Pupillometric evidence from sentence production in Tagalog and German

The voice system of Tagalog has been proposed to be symmetrical in the sense that there are no morphologically unmarked voice forms. This stands in contrast to asymmetrical voice systems, which exhibit unmarked and marked voices (e.g. active and passive in German). This article investigates the psycholinguistic processing consequences of the potential (a)symmetries in the voice systems of Tagalog and German by analyzing changes in cognitive load during sentence production. Tagalog and German native speakers’ pupil diameters were recorded while they produced sentences with different voice markings. Growth-curve analyses of the shape of task-evoked pupillary responses revealed that processing-load changes were similar for different voices in the symmetrical voice system of Tagalog. By contrast, actives and passives in the asymmetrical voice system of German exhibited different patterns of processing-load changes during sentence production. This is interpreted as supporting the notion of (relative) symmetry in the Tagalog voice system. Mental effort during sentence planning changes in different ways in the two languages because the grammatical architecture of their voice systems is different. Additionally, an anti-Patient bias in sentence production was found: linking patients to the subject function seems to be associated with greater cognitive effort. This anti-Patient bias in production adds converging evidence to ‘subject preferences’ reported in the sentence-comprehension literature.

2次元格子におけるポテンシャルの対称性と非線形局在モードの移動性に関する基礎研究

2次元格子におけるポテンシャルの対称性と非線形局在モードの移動性に関する基礎研究

Higher-order squeezing and entanglement of harmonic oscillators in superconducting circuits

We show that it is possible to obtain higher-order squeezing and entanglement between a pair of harmonic oscillators coupled to a single Δ-type artificial atom, which is realized because of the broken mirror symmetry of the effective potential in the superconducting circuits. Under the three-photon resonance and adiabatic conditions, the system can act as a coherence-controlled atomic reservoir, resulting in the generation of higher-order nonclassicality at steady state. The stable higher-order nonclassical correlations of the two harmonic oscillators in this solid-state device may find potential applications in quantum communications.

Temperature-Induced Topological Phase Transitions: Promoted versus Suppressed Nontrivial Topology.

Contrary to previous two-band model studies which find increasing temperature would induce a topological phase transition, we show here through first-principles calculations that the opposite is also realizable, depending on the material's full band structure and symmetry of the electron-phonon coupling potential. This finding explains recent experimental results by Wojek etal. [Nat. Commun. 6, 8463 (2015)NCAOBW2041-172310.1038/ncomms9463]. We show that the topological phase diagram of BiTl(S_{1-δ}Se_{δ})_{2} as a function of doping and temperature contains two distinct regions with nontrivial topology. In BiTlS_{2}, the phonons promote the topological phase at high temperature, while in BiTlSe_{2}, the system is driven back into the trivial phase.

Nonclassical Symmetries of a Nonlinear Diffusion–Convection/Wave Equation and Equivalents Systems

It is generally known that classical point and potential Lie symmetries of differential equations (the latter calculated as point symmetries of an equivalent system) can be different. We question whether this is true when the symmetries are extended to nonclassical symmetries. In this paper, we consider two classes of nonlinear partial differential equations; the first one is a diffusion–convection equation, the second one a wave, where we will show that the majority of the nonclassical point symmetries are included in the nonclassical potential symmetries. We highlight a special case were the opposite is true.

Engineering holographic phase diagrams

We study how to engineer holographic models with features of a high temperature superconductor phase diagram. We introduce a field in the bulk which provides a tunable "doping" parameter in the boundary theory. By designing how this field changes the effective masses of other order parameter fields, desired phase diagrams can be engineered. We give examples of generating phase diagrams with phase boundaries similar to a superconducting dome and an anti-ferromagnetic phase by including two order parameter fields. We also explore whether the pseudo gap phase can be described without adding another order parameter field and discuss the potential scaling symmetry associated with a quantum critical point hidden under the superconducting dome in this phase diagram.

An unusual bis-heteroscorpionate complex with anomalous ligands: [tris(3,4-dibromo-5-phenylpyrazolyl)hydroborato][hydrotris(3-neopentylpyrazolyl)borato]nickel(II).

Tridentate trispyrazolylborate (Tp) ligands, introduced by Trofimenko in 1966, have been widely utilized in metal coordination chemistry because of the relatively facile synthetic modification of their electronic and steric factors. The title heteroscorpionate, [Ni(C27H16BBr6N6)(C24H40BN6)], features one ligand, namely hydrotris(3-neopentylpyrazolyl)borate, that has previously displayed variable steric effects, and a brominated ligand, namely tris(3,4-dibromo-5-phenylpyrazolyl)hydroborate, that, atypical in trispyrazolylborate chemistry, coordinates such that the less bulky pyrazole substituent is oriented facing toward the metal ion. The potential molecular threefold symmetry in scorpionates can allow axial chirality. Although crystallized in the centrosymmetric P-1 space group, a closer inspection of the structure of the title compound reveals axial diastereomers.

Distorted Tetrahedral CoII in K5H[CoW12O40]·xH2O Probed by 2p3d Resonant Inelastic X-ray Scattering.

The Co 2p3/2 X-ray absorption spectroscopy and high-energy-resolution (∼0.09 eV fwhm) 2p3d resonant inelastic X-ray scattering (RIXS) spectra of the single-cobalt-centered polyoxometalate K5H[CoW12O40]·xH2O were measured. The low-energy dd transition features at 0.55 eV, unmeasurable with ultraviolet-visible (UV/vis) spectroscopy, were experimentally revealed in 2p3d RIXS spectra. RIXS simulations based on ligand-field multiplet theory were performed to assess the potential cobalt tetragonal symmetry distortion, which is described with the ligand-field parameters 10Dq (-0.54 eV), Ds (-0.08 eV), and Dt (0.005 eV). Because 2p3d RIXS probes not only the optical spin-allowed transitions but also the spin-forbidden transitions, we show that the current 2p3d RIXS simulation enables a series of dd feature assignments with higher accuracy than those from previous optical data. Furthermore, by wave-function decomposition analyses, we demonstrate the more realistic and detailed origins of a few lowest dd transitions using both one-electron-orbital and term-symbol descriptions.

Angular and energy distributions of fragment ions in dissociative double photoionization of acetylene molecules in the 31.9-50.0 eV photon energy range

The two-body dissociation reactions of the dication C2H2+2, initiated via double ionization of acetylene molecules by photons in the energy range 31.9-50.0 eV, have been studied by coupling photoelectron-photoion-photoion coincidence and ion imaging techniques. The angular distributions and kinetic energy of product ions, measured in the 31.9-50.0 eV energy range, exhibit significant differences for the three leading dissociation reactions with respect to a previous investigation carried out at a fixed energy of 39.0 eV, providing thus new information on the dynamical evolution of the system. The analysis of the results indicates that such dissociation reactions occur with a different mechanism. In particular, the symmetric dissociation in two CH+ ions is characterized by different dynamics, and the anisotropy of the angular distribution of ionic products increases with photon energy in a more pronounced way than the other two reactions. Moreover, the kinetic energy distribution of the symmetric dissociation reaction exhibits several components that change with photon energy. The new experimental findings cast light on the microscopic evolution of the system and can provide a laboratory reference for new theoretical calculations on specific features of the multidimensional potential energy surface, namely, the structure, energy and symmetry of dication states, the electronic state of dissociation products, energy barriers and their dependence on the geometry of the intermediate state.

Modulating thermal conduction by the axial strain

Recent studies have revealed that the symmetry of interparticle potential plays an important role in the one-dimensional thermal conduction problem. Here we demonstrate that, by introducing strain into the Fermi–Pasta–Ulam-β lattice, the interparticle potential can be converted from symmetric to asymmetric, which leads to a change of the asymptotic decaying behavior of the heat current autocorrelation function. More specifically, such a change in the symmetry of the potential induces a fast decaying stage, in which the heat current autocorrelation function decays faster than power-law manners or in a power-law manner but faster than ~t−1, in the transient stage. The duration of the fast decaying stage increases with increasing strain ratio and decreasing of the temperature. As a result, the thermal conductivity calculated following the Green–Kubo formula may show a truncation-time independent behavior, suggesting a system-size independent thermal conductivity.

Modelling of free positron states in TiHx

Electron energy structure, positron spectrum and positron characteristics of α-Ti and α-TiH0.125 were calculated. Self-consistent calculations of the band structure were performed by the linear muffin-tin orbital method in the atomic sphere approximation. Modelling has been made on low content of hydrogen into α-Ti with expanded close-packed hexagonal cell inclusive 8 titanium atoms. Variation of sphere radiuses permitted to consider anisotropy and spherical symmetry of potential. Positron potential and positron wave function were calculated on a base of self-consistent electron density. Then positron probability of existence into TiHx lattice and lifetime were founded. Theoretical calculation indicated a satisfactory agreement of positron characteristics absolute values with the experimental data is achieved but the tendency of values with hydrogen defects increasing is not. The reason of divergence is discussed. On the basis of experimental data and theoretical calculations it was shown that different hydrogen atom states demonstrate the different influence in the lifetime spectra.