Deformation of a charge density wave in the vicinity of a point contact with a normal metal

The current-voltage characteristics of Cu-K_0.3MoO₃ point contacts between a metal and a semiconductor with a charge density wave (CDW) are studied for various diameters of the contacts in a wide range of temperatures T and voltages V. In the interval 80 K ? T ? 150 K, the current-voltage characteristics are correctly described in the framework of a semiconductor model: screening of an external electric field causes CDW deformation, shifts the chemical potential of quasiparticles, and changes the point contact resistance. It is shown that the chemical potential is above the middle of the Peierls gap in equilibrium and approaches the middle upon an increase in temperature. The current-voltage characteristics of point contacts with a diameter d ? 100 Å exhibit a sharp decrease in resistance for |V| > V _t , which is associated with the beginning of local CDW sliding within the contact region. The V _t (d, T) dependence can be explained by the size effect in the CDW phase slip.     

First principles study on magnetic properties in ZnS doped with palladium

The electronic structures and magnetic properties in zinc-blende structure ZnS doped with nonmagnetic noble metal palladium have been investigated by means of density functional theory (DFT) calculations employing the generalised gradient approximation (GGA) and the GGA plus Hubbard U (GGA + U). Both the GGA and GGA + U methods demonstrate half-metallicity in Pd-doped ZnS with total magnetic moments of about 2.0μ _B per supercell. The half-metallic ferromagnetism stems from the hybridisation between Pd-4d and S-3p states and could be attributed to a double-exchange mechanism. These results suggest a recipe for obtaining a promising dilute magnetic semiconductor by doping nonmagnetic 4d elements in ZnS matrix.     

Effective decrease in the exchange energy in <Emphasis Type="Italic">S</Emphasis>-(<Emphasis Type="Italic">FN</Emphasis>)-<Emphasis Type="Italic">S</Emphasis> Josephson structures

The critical current I _c of S-(FN)-S Josephson structures has been calculated as a function of the distance L between superconducting (S) electrodes using the Usadel quasiclassical equations for the case of specifying the supercurrent in the direction parallel to the interface between the ferromagnetic (F) and normal (N) films of the composite weak-link region. It has been shown that, owing to the interaction between F and N films, both the typical decrease scale I _c(L) and the period of the critical current oscillations can be much larger than the respective quantities for the SFS junctions. The conditions have been determined under which these lengths are on the order of the effective depth ζ_N of superconductivity penetration to a normal metal.     

Molecular dynamics study of the growth of a metal nanoparticle array by solid dewetting

We investigated the effect of the substrate and the ambient temperature on the growth of a metal nanoparticle array (nanoarray) on a solid-patterned substrate by dewetting a Au liquid film using an atomic simulation technique. The patterned substrate was constructed by introducing different interaction potentials for two atom groups (C₁ and C₂) in the graphene-like substrate. The C₁ group had a stronger interaction between the Au film and the substrate and was composed of regularly distributed circular disks with radius R and distance D between the centers of neighboring disks. Our simulation results demonstrate that R and D have a strikingly different influence on the growth of the nanoparticle arrays. The degree of order of the nanoarray increases first before it reaches a peak and then decreases for increasing R at fixed D. However, the degree of order increases monotonously when D is increased and reaches a saturated value beyond a critical value of D for a fixed R. Interestingly, a labyrinth-like structure appeared during the dewetting process of the metal film. The simulation results also indicated that the temperature was an important factor in controlling the properties of the nanoarray. An appropriate temperature leads to an optimized nanoarray with a uniform grain size and well-ordered particle distribution. These results are important for understanding the dewetting behaviors of metal films on solid substrates and understanding the growth of highly ordered metal nanoarrays using a solid-patterned substrate method.     

Room Temperature Spin Accumulation Effect in Boron Doped Si Created by Epitaxial Fe<Subscript>3</Subscript>Si/<Emphasis Type="Italic">p</Emphasis>-Si Schottky Contact

To study spin-dependent transport phenomena in Fe₃Si/p-Si structures we fabricated 3-terminal planar microdevices and metal/semiconductor diode using conventional photolithography and wet chemical etching. I?V curve of prepared diode demonstrates rectifying behavior, which indicates the presence of Schottky barrier in Fe₃Si/p-Si interface. Calculated Schottky barrier height is 0.57 eV, which can provide necessary conditions for spin accumulation in p-Si. Indeed, in 3-terminal planar device with Fe₃Si/p-Si Schottky contact Hanle effect was observed. By the analysis of Hanle curves spin lifetime spin diffusion length in p-Si were calculated, which are 145 ps and 405 nm, respectively (at T = 300 K). Spin lifetime strongly depends on temperature which can be related to the fact that spin-dependent transport in our device is realized via the surface states. This gives a perspective of creation of spintronic devices based on metal/semiconductor structure without need for forming tunnel or Schottky tunnel contact.     

Mechanism of charge transfer in <Emphasis Type="Italic">n</Emphasis>-CdS/<Emphasis Type="Italic">p</Emphasis>-CdTe heterojunctions

The capacitance-voltage and current-voltage characteristics of the n-CdS/p-CdTe heterosystem are investigated. Analysis of these characteristics demonstrates that the CdTe_1?x S _x solid solution formed at the n-CdS/p-CdTe heterointerface is inhomogeneous in both the conductivity and composition. The thickness of solid solutions is estimated from the capacitance-voltage characteristics. It is shown that, for the n-CdS/p-CdTe heterosystem, the current-voltage characteristic in the current density range 10^?8-10^?5 A cm^?2 is governed by the thermal electron emission, whereas the current in the heterostructure at current densities in the range 10^?4-10^?2 A cm^?2 is limited by recombination of charge carriers in the electroneutral region of the CdTe_1?x S _x solid solution. The lifetime and the diffusion length of minority charge carriers in the CdTe_1?x S _x solid solution and the surface recombination rate at the interface between the CdS layer and the CdTe_1?x S _x solid solution are determined. It is demonstrated that the n-CdS/p-CdTe heterostructure operates as a p-i-n structure in which CdTe is a p layer, CdTe_1?x S _x is an i layer, and CdS is an n layer.     

Die charakteristische Thermokraft der Grenzflächenatome

For a single-band conductor where two or more scattering mechanisms are present, each giving rise to a characteristic thermoelectric powerS _n and a electrical resistivity? _n the resultant thermoelectric powerS is given, as a first approximation, by\(S = \sum\limits_n {\varrho _n S_n /\varrho } \). Denoting withS ₀ the characteristic thermoelectric power due to the scattering of the conduction electrons by the boundary atoms, and withS _i and? _i the resultant thermoelectric power and electrical resistivity arising from all other scattering mechanisms, one may writeS=S ₀+? _i(S _i?S ₀)/?. The thermoelectric powerS and the electrical resistivity? of thin layers of potassium, evaporated in a vacuum ～5·10^?9 Torr on a glass substrate at 90° K temperature, were measured at different thicknesses. The variation ofS as a function of 1/? verifies the above mentioned relation. Thus, the thermoelectric power, characteristic for the scattering by potassium boundary atoms can be determined.     

Ionization potential of a metal cluster containing vacancies

A consistent procedure for determining the ionization potential of a large metal cluster of radius R _{N, v} , consisting of N atoms and N _v vacancies, is proposed. The perturbation theory in small parameters R _v /R _{N, v} and L _v /R _v (Rv and L _v are average distance between vacancies and the length of electron scattering on vacancies, respectively) is constructed in the effective-medium approximation for the electron ground state energy. The effective vacancy potential profile, the electron scattering phase and length are calculated by the Kohn–Sham method for a macroscopic metal in the stable jelly model. The obtained analytical dependences can be useful to analyze the results of photoionization experiments and to determine the size dependence of the vacancy concentration, including that near the melting temperature.     

Competing contact processes in the Watts-Strogatz network

We investigate two competing contact processes on a set of Watts–Strogatz networks withthe clustering coefficient tuned by rewiring. The base for network construction isone-dimensional chain of N sites, where each site i is directly linked tonodes labelled as i ±1 and i ±2. So initially, each node has the same degree k_i =4. The periodic boundary conditions are assumed as well. For each nodei the linksto sites i +1 and i +2 are rewired to two randomly selected nodes so far not-connected tonode i. Anincrease of the rewiring probability q influences the nodes degree distribution and thenetwork clusterization coefficient ??. For given values of rewiring probabilityq the set ??(q)={??₁,??₂,...,??_M} of M networks is generated. The network’s nodes aredecorated with spin-like variables s_i ∈ { S,D}. During simulation each S node having a D-site in its neighbourhoodconverts this neighbour from D to S state. Conversely, a node in D state having at least oneneighbour also in state D-state converts all nearest-neighbours of this pairinto D-state. The latter is realized with probabilityp. We plotthe dependence of the nodes S final density n_S^T on initial nodes S fraction n_S⁰. Then, we construct the surface of the unstable fixedpoints in (??, p, n_S⁰) space. The system evolves more often toward n_S^T for (??, p, n_S⁰) points situated above this surface while startingsimulation with (??, p, n_S⁰) parameters situated below this surface leads system to n_S^T=0. The points on this surface correspond to such value ofinitial fraction n_S^* of S nodes (for fixed values ?? and p) for which their final density is n_S^T=1/2.     

Effect of Hall current and chemical reaction on MHD flow along a fluctuating porous flat plate with internal heat absorption/generation

Effect of Hall current on the unsteady free convection flow of a viscous incompressible and electrically conducting fluid past a fluctuating porous flat plate with internal heat absorption/generation in the presence of foreign gasses (such as H₂, CO₂, H₂O, NH₃) was investigated. The results are discussed with the effect of the parameters m, the Hall current, Mt, the hydromagnetic parameter, G _r the Grashoff number for heat transfer, G _c , the Grashoff number for mass transfer, S, the internal heat absorption/generation parameter, α, the transpiration parameter, S _c , the Schmidt parameter, and K _c the chemical reaction parameter for Prandtl number P _r = 0.71, which represents air. Further, the present study accounts for the 1st order chemical reaction affecting the flow characteristics. The governing equations are solved in closed form applying Hh _n (x) function. The effects of pertinent parameters characterizing the flow field are discussed with the help of graphs and tables. The important observation of the present study is that heat generation/absorption modifies the flow of current simultaneously to a magnetic force and thermal bouncy force. Heat generation combined with blowing leads to a sharp fall of temperature.     

Polarization of phosphorescence transitions and probabilities of intramolecular nonradiative deactivation of the lowest triplet state of aromatic molecules

This study continues the experimental testing of the validity of the inductive resonance theory of dipole-dipole energy transfer from the T ₁→S ₀ transition dipole to stretching vibrations of intramolecular CH bonds of naphthalene and its hydroxy derivatives. To this end, in the series of compounds under study, the range of variation of the geometrical parameter [Φ(CH)]² of the Förster theory, which accounts for the mutual orientation of the energy donor and acceptor, is estimated. Preliminarily, the angles between the transition dipole moments of the radiative and absorptive electronic transitions (T ₁→S ₀ and S ₀→S ₁; T ₁→S ₀ and S ₀→S ₂; S ₁→S ₀ and S ₀ →S ₁; and S ₁→S ₀ and S ₀→S ₂) are measured at 77 K by the method of polarization photoselection. From the polarization measurements, the angles between the phosphorescence transition dipole moment and the plane of a molecule are determined. It was found that, upon passage from naphthalene to its β derivatives, the orientation of the dipole moment of the radiative T ₁→S ₀ transition relative to the plane of a molecule markedly changes, with the in-plane component of the dipole moment being increased by an order of magnitude. The experimentally determined rate constants of nonradiative deactivation of the T ₁ state averaged over the CH groups of the naphthalene ring system, k _nr(CH), are compared with the rate constants [Φ(CH)]² of the inductive resonance energy transfer from the dipole of the T ₁→S ₀ transition to the dipole of the CH vibrations polarized in the plane of a molecule, calculated with regard to the orientational factor [Φ(CH)]². This comparison showed that, in the series of compounds under study, a change in the orientation of the dipole moment of the radiative T ₁→S ₀ transition relative to the plane of a molecule does not affect the rate of the nonradiative T ₁?S ₀ transition. This inference is confirmed by the absence of a correlation between the rate constants k _dd(CH) calculated by us (with regard to [Φ(CH)]²) and the well-known rate constants k _nr(CH) of individual sublevels of the T ₁ state measured at T≤1.35 K for a number of organic molecules. The possible sources of discrepancy between the experimental data that k _nr(CH) is independent of [Φ(CH)]² and the predictions of the theory are considered. A conclusion is made that the electronic-vibrational energy transfer between electric dipoles is the most probable mechanism of the T ₁?S ₀ transitions, but the rate constant of the dipole-dipole energy transfer upon interaction of the electronic and vibrational dipoles in a molecule does not depend on their orientations.     

Coulomb corrections to bremsstrahlung in the electric field of a heavy atom at high energies

We consider the differential and partially integrated cross sections for bremsstrahlung from high-energy electrons in an atomic field, with this field taken into account exactly. We use the semiclassical electron Green function and wavefunctions in an external electric field. It is shown that the Coulomb corrections to the differential cross section are very susceptible to screening. Nevertheless, the Coulomb corrections to the cross section summed over the final-electron states are independent of screening in the leading approximation in the small parameter 1/mr _scr (r _scr is the screening radius and m is the electron mass, ? = c = 1). We also consider bremsstrahlung from a finite-size electron beam on a heavy nucleus. The Coulomb corrections to the differential probability are also very susceptible to the beam shape, while the corrections to the probability integrated over momentum transfer are independent of it, apart from the trivial factor, which is the electron-beam density at zero impact parameter. For the Coulomb corrections to the bremsstrahlung spectrum, the next-to-leading terms with respect to the parameters mε (ε is the electron energy) and 1/mr _scr are obtained.     

Slow dynamics in glycerol: collective de gennes narrowing and independent angstrom motion

The slow dynamics of microscopic density correlations in supercooled glycerol was studied by time-domain interferometry using ⁵⁷Fe-nuclear resonant scattering gamma rays of synchrotron radiation. The dependence of the relaxation time at 250 K on the momentum transfer q is maximum near the first peak of the static structure factor S(q) at q ～ 15 nm ^?1. The q-dependent behavior of the relaxation time known as de Gennes narrowing was confirmed in glycerol. Conversely, de Gennes narrowing around the second and third peaks of S(q) at q ～ 26 nm ^?1 and 54 nm ^?1 was not detected. The q dependence of the relaxation time was found to follow a power-law equation with power-law index of 1.9(2) in the q region well above the first peak of S(q) up to ～ 60 nm ^?1, which corresponds to angstrom scale, within experimental error. This suggests that in the angstrom-scale dynamics of supercooled glycerol, independent motions dominate over collective motion.     

Thermoelectric properties of layered ferrocuprates <Emphasis Type="Italic">Ln</Emphasis>BaCuFeO<Subscript>5 + δ</Subscript> (<Emphasis Type="Italic">Ln</Emphasis>= La,Pr, Nd,Sm, Gd-Lu)

The electrical resistivity ρ and the thermopower S of ceramic materials LnBaCuFeO_{5 + δ} (Ln= La, Pr, Nd, Sm, Gd-Lu) are measured in air at temperatures in the range from 300 to 1100 K. All the studied ferrocuprates are p-type semiconductors. The electrical resistivity ρ and the thermopower S of these compounds increase with a decrease in the radius of the Ln ³⁺ cation (with an increase in the number of 4f electrons n in Ln ³⁺). The nonmonotonic behavior of the dependences ρ=f(n) and S=f(n) indicates that the electrical properties of the layered ferrocuprates LnBaCuFeO_{5 + δ} depend on the electronic configuration of the Ln ³⁺ cation. The power factors P calculated for the LnBaCuFeO_{5 + δ} ceramic materials from the experimental values of ρ and S increase with increasing temperature and, at T = 1000 K, reach the maximum values P = 102.0 and 54.1 µW m^?1 K^?2 for Ln = Pr(4f ²) and Sm(4f ⁵), respectively, and become close to each other and equal to 30–35 µW m^?1 K^?2 for Ln = Gd(4f ⁷), Dy(4f ⁹), and Ho(4f ¹⁰).     

Schrödinger’s Equation with Gauge Coupling Derived from a Continuity Equation

A quantization procedure without Hamiltonian is reported which starts from a statistical ensemble of particles of mass m and an associated continuity equation. The basic variables of this theory are a probability density ρ, and a scalar field S which defines a probability current j=ρ ? S/m. A first equation for ρ and S is given by the continuity equation. We further assume that this system may be described by a linear differential equation for a complex-valued state variable χ. Using these assumptions and the simplest possible Ansatz χ(ρ,S), for the relation between χ and ρ,S, Schrödinger’s equation for a particle of mass m in a mechanical potential V(q,t) is deduced. For simplicity the calculations are performed for a single spatial dimension (variable q). Using a second Ansatz χ(ρ,S,q,t), which allows for an explicit q,t-dependence of χ, one obtains a generalized Schrödinger equation with an unusual external influence described by a time-dependent Planck constant. All other modifications of Schrödinger’ equation obtained within this Ansatz may be eliminated by means of a gauge transformation. Thus, this second Ansatz may be considered as a generalized gauging procedure. Finally, making a third Ansatz, which allows for a non-unique external q,t-dependence of χ, one obtains Schrödinger’s equation with electrodynamic potentials A,φ in the familiar gauge coupling form. This derivation shows a deep connection between non-uniqueness, quantum mechanics and the form of the gauge coupling. A possible source of the non-uniqueness is pointed out.     

On the calculation of the two-point function for the thirring-model by the method of functional integration

By the method of functional integration the two-point functionS _F for the spinor model with the interaction\( - \lambda (\bar \psi \psi )^2 \) is calculated in a two-dimensional space-time. After Fourier-transformationS _F (p) results as a power series with respect to 1/√λ. If we change the order of terms, we get a series in powers of γp. Each coefficient is a series in powers of 1/√λ. The first terms of this series are considered as a good approximation for bigλ. By reasons of convergence of the integrals we must displace the expansion centre of the series in powers ofγ p fromp ²=0 top ²=a ².     

Modification of normal metal transport by the superconducting proximity effect

When a normal (N) metal makes intimate contact with a superconductor (S), the density of states in the normal metal is modified by the proximity effect. As a consequence, if a point contact is made with the normal metal the resulting tunnel conductance,G, is a function of the distance,x, from the N-S interface. We show that, for allx, G possesses a minimum at zero voltage and at finite voltage,G equals that of the structure without superconductivity present. The conductance is independent of the magnitude of the superconducting order parameter but depends upon the amount of normal scattering at the N-S interface.     

Grundzustand eines Fermi-Gases mit hard-sphere-Wechselwirkung

The decomposition of the ground state wave function of a Fermi gas interacting via hard core potentials into cluster functionsS _n leads to a systematic expansion of wave function and energy in powers of the parameterc=P _F r _c (r _c =hard core radius,P _F =Fermi momentum). For instance,S _n has the order of magnitudec ^n-λ-1, if λ=number of Fermion coordinates with distances smaller thanr _c . The first three energy terms agree with the ones given by other authors. Any occurrence of singular terms in the intermediate steps of the derivation can be avoided     

Exchange and correlation in finite-temperature TDDFT

We discuss the finite-temperature generalization of time-dependent density functional theory (TDDFT). The theory is directly analogous to that at temperature T = 0. For example, the finite-T TDDFT exchange-correlation kernel f_xc(T, n) in the local density approximation can again be expressed as a density derivative of the exchange correlation potential f_xc(T, n) = [?v_xc(T, n)∕?n]δ(r ? r′), where n = N∕V is the electron number density. An approximation for the kernel f_xc(T, n) is obtained from the finite-T generalization of the retarded cumulant expansion applied to the homogeneous electron gas. Results for f_xc and the loss function are presented for a wide range of temperatures and densities including the warm dense matter regime, where T ≈ T_F, the electron degeneracy temperature. The theory also permits a physical interpretation of the exchange and correlation contributions to the theory.