Study of coupling effect on the performance of a spin-current diode: Nonequilibrium Green’s function based model

In this paper, spin-dependent transport through a spin diode composed of a quantum dot coupled to a normal metal and a ferromagnetic lead is studied. The current polarization and the spin accumulation are analyzed using the equations of motion method within the nonequilibrium Green’s function formalism. We present a suitable method for computing Green’s function without carrying out any self-consistent calculation. The influence of coupling strength and magnetic field on the spin current is studied and observed that this device cannot work as a spin diode under certain conditions.     

Analytic and numeric Green’s functions for a two-dimensional electron gas in an orthogonal magnetic field

We have derived closed analytic expressions for the Green’s function of an electron in a two-dimensional electron gas threaded by a uniform perpendicular magnetic field, also in the presence of a uniform electric field and of a parabolic spatial confinement. A workable and powerful numerical procedure for the calculation of the Green’s functions for a large infinitely extended quantum wire is considered exploiting a lattice model for the wire, the tight-binding representation for the corresponding matrix Green’s function, and the Peierls phase factor in the Hamiltonian hopping matrix element to account for the magnetic field. The numerical evaluation of the Green’s function has been performed by means of the decimation-renormalization method, and quite satisfactorily compared with the analytic results worked out in this paper. As an example of the versatility of the numerical and analytic tools here presented, the peculiar semilocal character of the magnetic Green’s function is studied in detail because of its basic importance in determining magneto-transport properties in mesoscopic systems.     

Ferroelectric phase transition of a finite alternating superlattice

The phase transition properties of ferroelectric supperlattice with finite alternating layers have been investigated by using the transverse Ising model within the mean field approximation. The effects of surface modification are introduced on the assumption that the exchange interaction and transverse field parameters on the top surface are different from those in other layers of the superlattice. The phase diagrams are described in two different ways. The results indicate that the features of the phase diagrams can be greatly modified by changing the transverse Ising model parameters.     

Long—Range Effects on the Pyroelectric Coefficient of Ferroelectric Superlattice

Long-range effects on the pyroelectric coefficient of a ferroelectric superlattice consisting of two different ferroelectric materials are investigated based on the transverse Ising model.The effects of the interfacial coupling and the thickness of one period on the pyroelectric coefficient of the ferroelectric superlattics are studied by taking into account the long-range interaction.It is found that with the increase of the strength of the long-range interaction,the pyroelectric coefficient decreases when the temperature is lower than the phase transition temperature;the mumber of the pyroelectric peaks decreases gradually and the phase transition temperature increases,It is also found that with the decrease of the interfacial coupling and the thickness of one period.the phase transition temperature and the number of the pyroelectric peaks decrease.     

A hybrid method for the parallel computation of Green’s functions

Quantum transport models for nanodevices using the non-equilibrium Green’s function method require the repeated calculation of the block tridiagonal part of the Green’s and lesser Green’s function matrices. This problem is related to the calculation of the inverse of a sparse matrix. Because of the large number of times this calculation needs to be performed, this is computationally very expensive even on supercomputers. The classical approach is based on recurrence formulas which cannot be efficiently parallelized. This practically prevents the solution of large problems with hundreds of thousands of atoms. We propose new recurrences for a general class of sparse matrices to calculate Green’s and lesser Green’s function matrices which extend formulas derived by Takahashi and others. We show that these recurrences may lead to a dramatically reduced computational cost because they only require computing a small number of entries of the inverse matrix. Then, we propose a parallelization strategy for block tridiagonal matrices which involves a combination of Schur complement calculations and cyclic reduction. It achieves good scalability even on problems of modest size.     

Long-Range Effects on the Pyroelectric Coefficient of Ferroelectric Superlattice

Long-range effects on the pyroelectric coefficient of a ferroelectric superlattice consisting of two differentferroelectric materials are investigated based on the transverse Ising model. The effects of the interfacial coupling andthe thickness of one period on the pyroelectric coefficient of the ferroelectric superlattice are studied by taking intoaccount the long-range interaction. It is found that with the increase of the strength of the long-range interaction, thepyroelectric coefficient decreases when the temperature is lower than the phase transition temperature; the number ofthe pyroelectric peaks decreases gradually and the phase transition temperature increases. It is also found that with thedecrease of the interfacial coupling and the thickness of one period, the phase transition temperature and the number ofthe pyroelectric peaks decrease.     

电场中三层铁电超晶格的物理性质研究

基于微分算符技术的相关有效场理论研究用伊辛模型描述的铁电三层超晶格的物理性质。讨论了电场对电极矩、电极化率、热电系数等物理性质的影响。     

Tuning of electron transport through a moebius strip: Shot noise

We study electron transport through a moebius strip attached to two metallic electrodes by the use of a Green’s function technique. A parametric approach is used based on the tight-binding model to characterize the electron transport through such a bridge system and it is observed that the transport properties are significantly affected by (a) the transverse hopping strength between the two channels and (b) the strip-to-electrodes coupling strength. In this context we also describe the noise power of the current fluctuations, which provide key information about the electron correlation which is obtained by calculating the Fano factor (F). The knowledge of these current fluctuations gives important ideas for the fabrication of efficient molecular devices.     

Phonon scattering in harmonic model for a typical quantum wire

In this study, we extend a fully exact Green’s function formalism to calculate the phonon transmission coefficient in a short simulated chain. We obtain new analytical formulas for a uniform-mass and periodic-mass chain. The results for a simple chain show that the resonance peak will be appeared without gap but for the periodic chain the transmission coefficient contains a gap in the acoustic band of leads.     

Effect of inelastic electron-phonon interaction on tunneling magnetoresistance through ferromagnetic-organic molecule-ferromagnetic junction

We have studied the effect of inelastic electron-phonon interaction on the spin-dependent transport properties of a molecule, trans-polyacetylene (trans-PA), as a molecular bridge sandwiched between two ferromagnetic (FM) electrodes. The work is based on a tight-binding Hamiltonian model within the framework of a generalized Green’s function technique and relies on the Landauer-Büttiker formalism as the basis for studying the current-voltage characteristic of this system. We use the wide-band approximation for FM electrodes. It is shown that due to inelastic interactions, the spin currents increase in a finite value of voltage and tunnel magnetoresistance (TMR) decreases compared with TMR obtained in the absence of phonons.     

Phase transition properties of ferroelectric thin films with two surface layers

The phase diagrams of ferroelectric thin films with two surface layers described by the transverse Ising model have been studied under the mean-field approximation. We discuss the effects of the exchange interaction and transverse field parameters on the phase diagrams. The results indicate that the phase transition properties of the phase diagrams can be greatly modified by changing the transverse Ising model parameters. In addition, the crossover features of the parameters from the ferroelectric dominant phase diagram to the paraelectric dominant phase diagram are determined for ferroelectric thin films with two surface layers.     

The shear viscosity of a two component Fermi gas with unequal population at low temperatures

The shear viscosity of spin-polarized Fermi gas at low temperatures is calculated by using the Green’s functions method. In the BEC limit where a Feshbach resonance gives rise to tightly bound dimer molecules, the contributions of the interactions between dimer-atom and imer-dimer take into account to the viscous relaxation rate.     

Scalar Green’s function for penetrable or dielectric scatterers

In a series of former papers, we developed the so-called self-consistent Green’s function formalism (SGFF) for acoustic and light scattering on impenetrable or ideal metallic scatterers. With the paper at hand we will extend the application of this formalism to penetrable or dielectric scatterers. The concept of the Green’s function of the third kind is utilized which was introduced first by Tai. It must be slightly generalized to allow the treatment of nonspherical scatterers. The following considerations reveal the conceptual equivalence between the Green’s function of the third kind and Waterman’s T-matrix method. It is another goal of this paper to demonstrate that the conventional boundary and volume integral equations can be also derived within the developed Green’s function formalism.     

Spin transport in bimetallic pentalene complexes

Spin transport in bimetallic pentalene complexes (CpM(pentalene)M′Cp;M,M′=Fe,Co,Ni) between two gold electrodes was investigated, using a Green’s function formalism under density functional theory. Variation of the metal atom species in the complexes gives a considerable change in their spin properties, with hetero-bimetallic complexes containing an odd number of electrons exhibiting spin filter behaviour. In contrast, alternation in the contact condition, whether Cp-anchoring or adducting by sulphur-gold bonds, had almost no effect on spin filter behaviour, but did lead to variation in electrical conduction. We examined suitable bimetallic pentalene complexes in order to enhance their spin filter efficiency.     

Antisymmetrized Green’s function approach to (e, e′) reactions with a realistic nuclear density

A completely antisymmetrized Green’s function approach to the inclusive quasielastic (e, e′) scattering, including a realistic one-body density, is presented. The single-particle Green’s function is expanded in terms of the eigenfunctions of the non-hermitian optical potential. This allows one to treat final state interactions consistently in the inclusive and in the exclusive reactions. Nuclear correlations are included in the one-body density. Numerical results for the response functions of ¹⁶O and ⁴⁰Ca are presented and discussed.     

Magnetic properties of a mixed spin-1 and spin-2 Heisenberg ferrimagnetic system: Green’s function study

The magnetic behaviors of a mixed spin-1 and spin-2 Heisenberg ferrimagnetic system on a square lattice are studied by using the double-time temperature-dependent Green’s function technique. In order to decouple the higher order Green’s functions, Anderson and Callen’s decoupling and random phase approximations have been used. The system is described in the presence of an external magnetic field. We illustrate the influences of the nearest- and next-nearest-neighbor interactions and the single-ion anisotropies with an external magnetic field on compensation and critical temperatures. We found that the system that includes only the nearest-neighbor interaction and the single-ion anisotropies does not have a compensation temperature. When the next-nearest-neighbor interactions exceed a certain minimum value, a compensation temperature begins to appear. For some negative values of single-ion anisotropies, there exist first-order phase transitions. The system has first-order phase transition properties when it is under the influence of an external magnetic field.     

First-principles study of the electronic transport properties of a C131 -based molecular junction

Using first-principles density functional theory and the non-equilibrium Green’s function formalism, we have studied the electronic transport properties of the dumbbell-like fullerene dimer C₁₃₁-based molecular junction. Our results show that the current-voltage curve displays an obvious negative differential resistance phenomenon in a certain bias voltage range. The negative differential resistance behavior can be understood in terms of the evolution of the transmission spectrum and the projected density of states with applied bias voltage. The present findings could be helpful for the application of the C₁₃₁ molecule in the field of single molecular devices or nanometer electronics.     

High-frequency susceptibility of a multilayered ferromagnetic system with two-dimensional inhomogeneities

This paper reports on the results of the investigation of the high-frequency susceptibility of a layered ferromagnetic structure in which, apart from a periodic change in the magnetic anisotropy parameter from layer to layer, this parameter varies along layers according to a random law (the superlattice with two-dimensional phase inhomogeneities). The evolution of the frequency dependence of the imaginary part of the averaged Green’s function in the range of the energy gap (band gap) in the spectrum of waves propagating along the superlattice axis due to the change in the relative root-mean-square fluctuations of the phase γ2 has been studied at the boundaries of the odd Brillouin zones. It has been found that, for all odd Brillouin zones, the imaginary part of the Green’s function exhibits a universal behavior: the peak corresponding to the edge of the band gap with a lower frequency remains unchanged, and the peak corresponding to the edge of the band gap with a higher frequency is smoothed with an increase in the quantity γ₂. These effects, which were initially revealed at the boundary of the first Brillouin zone of the sinusoidal superlattice, have been explained, as before, by the specific features of the energy conservation laws for the incident and scattered waves in the lattice with two-dimensional inhomogeneities. It has been demonstrated that an increase in the Brillouin zone number leads to a decrease in the value of γ₂ at which the peak at the edge of the band gap with a higher frequency disappears.     

Spectral properties of waves in superlattices with 2D and 3D inhomogeneities

We investigate the dynamic susceptibility and one-dimensional density of states in an initially sinusoidal superlattice containing simultaneously 2D phase inhomogeneities simulating correlated rough-nesses of superlattice interfaces and 3D amplitude inhomogeneities of the superlattice layer materials. The analytic expression for the averaged Green’s function of the sinusoidal superlattice with two phase inhomogeneities is derived in the Bourret approximation. It is shown that the effect of increasing asymmetry in the peak heights of dynamic susceptibility at the Brillouin zone boundary of the superlattice, which was discovered earlier [15] upon an increase in root-mean-square (rms) fluctuations, also takes place upon an increase in the correlation wavenumber of inhomogeneities. However, the peaks in this case also become closer, and the width and depth of the gap in the density of states decrease thereby. It is shown that the enhancement of rms fluctuations of 3D amplitude inhomogeneities in a superlattice containing 2D phase inhomogeneities suppresses the effect of dynamic susceptibility asymmetry and leads to a slight broadening of the gap in the density of states and a decrease in its depth. Targeted experiments aimed at detecting the effects studied here would facilitate the development of radio-spectroscopic and optical methods for identifying the presence of inhomogeneities of various dimensions in multilayer magnetic and optical structures.