Volume 4, Issue 1

An analytical example in elementary functions is presented (2D Gaussian beam diffraction in free space), which demonstrates the divergence of the geometrical optics (GO) series when the conditions for its applicability are violated. This example shows that accounting for higher terms in GO power series leads to divergence and therefore becomes completely useless beyond the boundaries of GO applicability.

The rate-equation approach is used to describe sequential tunneling through a molecular junction in the Coulomb blockade regime. Such device is composed of molecular quantum dot (with discrete energy levels) coupled with two metallic electrodes via potential barriers. Based on this model, we calculate nonlinear transport characteristics (conductance-voltage and current-voltage dependences) and compare them with the results obtained within a self-consistent field approach. It is shown that the shape of transport characteristics is determined by the combined effect of the electronic structure of molecular quantum dots and by the Coulomb blockade. In particular, the following phenomena are discussed in detail: the suppression of the current at higher voltages, the charging-induced rectification effect, the charging-generated changes of conductance gap and the temperature-induced as well as broadening-generated smoothing of current steps.

The influence of iodine on the electrical properties of sandwich structures of magnesium phthalocyanine (Mg Pc) thin films with gold and aluminium electrodes has been investigated. The various electrical properties and different electrical parameters of the iodine-doped Mg Pc thin film devices have been estimated and compared with the values of normal Mg Pc devices from the analysis of the current-voltage characteristics. Generally samples showed an asymmetric conductivity both under forward and reverse bias. From our study we found that iodine doped Mg Pc films showed an enhanced electrical conductivity of nearly ten times that of typical Mg Pc. At low voltages the films showed an ohmic conduction with a hole concentration of P0 = 6.34 × 1018 m−3 and hole mobility μ = 9.16 × 10−5 m 2 V−1 s−1, whereas at higher voltage levels the conduction is dominated by space charged limited conduction (SCLC) with a discrete trapping level of 1.33 × 1022 m−3 at 0.63 eV above the valance band edge. The ratio of the free charges to trapped charges (trapping factor) for the doped samples was found to be 1.07 × 10−7. Furthermore the reverse conduction mechanisms have also been investigated. From the current limitations in the reverse condition a strong rectifying behaviour was evident which was attributed to Poole-Frankel emission with a field-lowering coefficient of value 2.24 × 10−5 eV m1/2 V−1/2.

Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of atomic nanowire which is connected to ferromagnetic electrodes. The molecule itself is described with the help of Hubbard model (Coulomb interactions are treated by means of the Hartree-Fock approximation), while the coupling to the electrodes is modeled through the use of a broad-band theory. It was shown that magnetoresistance varies periodically with increasing length of the atomic wire (in the linear response regime) and oscillates with increasing bias voltage (in the nonlinear response regime). Since the TMR effect for analyzed structures is predicted to be large (tens of percent), these junctions seem to be suitable for application as magnetoresistive elements in future electronic circuits.

The hyperfine structure of the ground state of vanadium, 51VI, is calculated in the nonrelativistic framework of the multi-configuration Hartree-Fock approximation. A configuration state function limiting algorithm is used to make the calculations feasible and to study the influence of core, valence and core-valence correlations in detail. The obtained configuration state function space captures the most important orbital correlations within 2%. Further correlations are included through configuration interaction calculation. The atomic state functions are used to evaluate the magnetic dipole hyperfine factor A and the electric quadrupole factor B. It turns out that the ab initio calculation can not capture the core polarization of the 2s shell. It introduces an error that is higher than the Hartree-Fock approximation. However, the detailed correlations being observed suggest the introduction of a wrong correlation orbital due to the algorithm being used. Neglecting this orbital leads to good agreement with 2% deviation from the experimental values for the A factors.

Proposed in this paper is an original method assuming potential and kinetic energies for prices and for the conservation of their sum that has been developed for forecasting exchanges. Connections with a power law are shown. Semiempirical applications on the S&P500, DJIA, and NASDAQ predict a forthcoming recession in them. An emerging market, the Istanbul Stock Exchange index ISE-100 is found harboring a potential to continue to rise.

The annealing-time dependence of the electrical conductivity of multilayered single-crystal and polycrystalline metal films has been analyzed theoretically within the frame of the semi-classical approach. It is demonstrated that changes in the electrical conductivity which are caused by the diffusion annealing allow for investigating the processes of the bulk and grain-boundary diffusion, and for estimating the coefficients of the diffusion. The electrical conductivity was calculated and the numerical analysis of the diffusion-annealing time dependence was performed at various parameters.

The ac electrical parameters of thermally evaporated zinc phthalocyanine, ZnPc, semiconducting thin films was measured in the temperature range of 180–390 K and frequency between 0.1 and 20 kHz. Aluminum electrode contacts were utilized to sandwich the organic ZnPc semiconducting films. Capacitance and loss tangent decreased rapidly with frequency at high temperatures, but at lower temperatures a weak variation is observed. An equivalent circuit model assuming ohmic contacts could qualitatively and successfully explains capacitance and loss tangent behavior. The ac conductivity showed strong dependence on both temperature and frequency depending on the relevant temperature and frequency range under consideration. Ac conductivity σ (ω) is found to vary with ω, as ω s with the index s ≤ 1.35 suggesting a dominant hopping conduction process at low temperatures (< 250 K) and high frequency. The conductivity of some samples did not increase monotonically with temperature. This behavior was attributed to oxygen exhaustion of the sample as its temperature is increased. The ac conductivity behavior at low temperatures of ZnPc films could be described well by Elliott model assuming hopping of charge carriers between localized sites.

The Raman spectroscopy method was used for structural characterization of TiO2 thin films prepared by atomic layer deposition (ALD) and pulsed laser deposition (PLD) on fused silica and single-crystal silicon and sapphire substrates. Using ALD, anatase thin films were grown on silica and silicon substrates at temperatures 125–425 °C. At higher deposition temperatures, mixed anatase and rutile phases grew on these substrates. Post-growth annealing resulted in anatase-to-rutile phase transitions at 750 °C in the case of pure anatase films. The films that contained chlorine residues and were amorphous in their as-grown stage transformed into anatase phase at 400 °C and retained this phase even after annealing at 900 °C. On single crystal sapphire substrates, phase-pure rutile films were obtained by ALD at 425 °C and higher temperatures without additional annealing. Thin films that predominantly contained brookite phase were grown by PLD on silica substrates using rutile as a starting material.

Lead iodide has been recognized as a promising material for room temperature radiation detectors. It has a wide band-gap (∼ 2.3 eV), high atomic numbers (82, 53) and it is environmentally very stable compared to mercuric iodide. Electrical and optical properties of lead iodide grown crystals purified under the influence of selected rare earth elements have been investigated. Photo-luminescence and capacitance-voltage measurements have been performed using different rare earth elements.

In this study, we determined the most appropriate Hamiltonian that is needed for present calculations of nuclei in the A≅ 80 region by the view of interacting boson model (IBM-2). Using the best-fitted values of parameters in the Hamiltonian, we have calculated energy levels and B(E2) values for a number of transitions in some doubly even Se nuclei. The results were compared with the previous experimental and theoretical data and it is observed that they are in good agreement. The calculations have been extended to Se isotopes with A < 76 for which some B(E2) values are still not known.