Quasi-relativistic treatment of the low-lying KCs states

The potential energy curves, permanent and transition dipole moments as well as spin-orbit and angular coupling matrix elements between the KCs electronic states converging to the lowest three dissociation limits were evaluated in the basis of the spin-averaged wavefunctions corresponding to pure Hund’s coupling case (a). The quasi-relativistic matrix elements have been obtained for a wide range of internuclear distance by using of small (9-electrons) effective core pseudopotentials of both atoms. The core-valence correlation has been accounted for a large scale multi-reference configuration interaction method combined with semi-empirical core polarization potentials. The static dipole polarizabilities of the ground X¹Σ⁺ and a³Σ⁺ states were extracted from the closed-shell coupled-cluster energies by the finite-field method. Among the singlet and triplet Σ⁺ states manifold the pronounced avoided crossing effect between repulsive walls of the (2,3)³Σ⁺ states has been discovered and analyzed by finite-difference calculation of radial coupling matrix elements. The resulting transition dipole moments and potentials were used to predict radiative lifetimes and emission branching ratios of excited vibronic states while the calculated angular coupling matrix elements were transformed to Λ-doubling constants of the (1,2)¹Π states and magnetic g-factor of the ground state. The accuracies of the present results are discussed by comparing with experimental data and preceding calculations.     

Effects of pressure ratio on population inversion in a DF chemical laser with concurrent lasing

A numerical simulation is presented for investigating the effects of pressure ratio of D₂ injector to supersonic nozzle on the population inversion in the DF chemical laser cavity, while a lasing concurrently takes place. The chemical laser is generally used for the industrial process and manufacturing as well as the military weapon system, which requires high power characteristic of laser system rather than the others. The population inversion is absolutely needed to generate the laser beam and is non-equilibrium process. The laser beam is generated between the mirrors in the cavity and it is important to obtain stronger population inversion and more uniform distribution of the excited molecules in the laser cavity in order to produce high-power laser beam with good quality. In this study, these phenomena are investigated by means of analyzing the distributions of the DF excited molecules and the F atom used as an oxidant, while simultaneously estimating the maximum small signal and saturated gains and power in the DF chemical laser cavity. For the numerical solution, a fully conservative implicit method and a second order total variation diminishing (TVD) scheme are used with the finite-volume method (FVM). An 11-species (including DF molecules in various excited states of energies), 32-step chemistry model is adopted for the chemical reaction of the DF chemical laser system. The results are discussed by comparison with two D₂ injector pressure cases; 192 and 388.64 torr. Major results reveal that in the resonator, stronger population inversions occur in the all transitions except DF(1)-DF(0), when the D₂ injection pressure is lower. But, the higher D₂ injection pressure provides a favorable condition for DF(1)-DF(0) transition to generate the higher power laser beam. In other words, as the pressure of D₂ injector increases, the maximum small signal gain in the v_1-0 transition, which is in charge of generating most of laser power, becomes higher. Therefore, the total laser beam power becomes higher.     

Monitoring energy transfer in hyperbranched macromolecules through fluorescence depolarization

Fluorescence depolarization under dipolar quasiresonant energy transfer allows to monitor the presence of the excitation on the originally excited chromophore. Moreover, a simple model relates the arrangement of the chromophores to the depolarization decay via the eigenvalues of the corresponding connectivity matrix. Now, for important classes of polymers (such as dendrimers and fractal hyperbranched macromolecules) these eigenvalues can be obtained without the need of diagonalizing the corresponding connectivity matrices, a fact which allows to study very large systems also. We determine the fluorescence depolarization behavior of hyperbranched systems and emphasize the possibilities offered by such measurements in differentiating between the underlying geometries.     

Dynamical pair correlations of classical and quantum fluids perturbed with weak long-range forces

We study time dependent correlation functions of ideal classical and quantum gases using methods of equilibrium statistical mechanics. The basis for this is the path integral formalism of quantum mechanical systems. By this approach the statistical mechanics of a quantum mechanical system becomes the equivalent of a classical polymer problem in four dimensions where imaginary time is the fourth dimension. Several non-trivial results for quantum systems have been obtained earlier by this analogy. Here we will focus upon particle dynamics. First ideal gases are considered. Then interactions, that are assumed weak and of long range, are added, and methods of classical statistical mechanics are applied to obtain the leading contribution. Comparison is performed with known results of kinetic theory. These results demonstrate how methods developed for systems in thermal equilibrium also is applicable outside equilibrium. Thus, more generally, we have reason to expect that these methods will be accurate and useful for other situations of interacting many-body systems consisting of quantized particles too. To indicate so we sketch the computation of the induced Casimir force between parallel plates filled with ions for the situation where the ions are quantized, but the interaction remains electrostatic. Further in this respect we establish expressions for a leading correction to ab initio calculations for the energies of the quantized electrons of molecules. To our knowledge these two latter applications go beyond earlier results.     

Variational approach to strong correlation in the photoemission of electron-doped superconductors

We use a variational approach with strictly strong-correlated constraint to gain insight into low-energy states of t-t^′-t^″-J model in the electron-doped regime. Compared with the recent results on the electron-doped cuprates obtained by angle-resolved photoemission spectroscopy (ARPES), we show that based on the long-range ordered antiferromagnetic metallic state prohibiting vacant sites, our results lead to qualitatively similar trends in ARPES spectra and Fermi surface topology. Additionally, the results about the evolution of the energy gap and spectral weight as a function of doping will be discussed.     

Contact and phonon scattering effects on quantum transport properties of carbon-nanotube field-effect transistors

We investigated the phonon scattering effects on the transport properties of carbon nanotube devices with micron-order lengths at room temperature, using the time-dependent wave-packet approach based on the Kubo formula within a tight-binding approximation. We studied the scattering effects of both the longitudinal acoustic and the optical phonons on the transport properties. The conductance of semiconducting nanotubes is decreased by the acoustic phonon, instead of the optical phonon. Furthermore, we clarified how the electron mobilities of the devices are affected by the acoustic phonon.     

Measurement of the F5/2 and H(2)9/2 manifold lifetime in Nd:YLiF4

We present direct measurements of the lifetime of the ⁴F_5/2 and ²H(2)_9/2 manifold in Nd³⁺:YLiF₄, using a fluorescence pump-probe technique. The technique populates the ⁴F_5/2 and ²H(2)_9/2 manifold directly with a pump pulse. Via excited state absorption from this excited manifold, the ²F(2)_5/2 manifold of Nd³⁺ is populated with a delayed probe pulse. The population in the ⁴F_5/2 and ²H(2)_9/2 manifold is monitored as a function of time by observing the change in integrated UV fluorescence from the ²F(2)_5/2 manifold for each time delay between pump and probe pulses. The pump and probe beams come from the fundamental and second harmonic wavelengths of a femtosecond Ti:sapphire regenerative amplifier. The measured lifetime agrees well with the energy gap law, based on other nonradiative lifetime measurements from the literature for Nd³⁺:YLiF₄.     

Variational treatment of Faraday waves in inhomogeneous Bose-Einstein condensates

Motivated by the recent experimental progress on the collective modes of a Bose-Einstein condensate whose atomic scattering length is tuned via Feshbach resonances, we analyze by variational means the dynamics of Faraday waves in trapped Bose-Einstein condensates. These waves can be excited by modulating periodically either the strength of the magnetic trap or the atomic scattering length. To study their dynamics, we develop a variational model that describes consistently both the bulk part of an inhomogeneous, low-density, cigar-shaped condensate and small-amplitude, small-wavelength Faraday waves. The main ansatz used in the variational treatment is tailored around a set of Gaussian envelopes and we show extensions for the high-density regime using a q-Gaussian function. Finally, we show explicitly that for drives of small amplitude, the two methods of obtaining Faraday waves are equivalent, and we discuss the existing experimental results.     

A genetic algorithm for the 1D electron gas

We show how to apply a genetic algorithm to describe the homogeneous electron gas. For simplicity we consider just the 1D case. The pair correlation function so obtained is compared with those found by using variational Monte Carlo and quantum hypernetted chain calculations and reported for the first time in this paper.     

The spin-1 Ising model on a two-layer Bethe lattice with FM/AFM interactions

Two-layer Bethe lattice with the Ising spins of the top layer having only ferromagnetic (FM) interactions and the bottom layer having only antiferromagnetic (AFM) interactions are allowed to interact with the interlayer interaction of either FM or AFM type. The model is studied by using the exact recursion relations in a pairwise approach for given coordination numbers q=3, 4 and 6 with equal external magnetic fields acting on the layers. The phase diagrams of the model are obtained on different planes for given system parameters by studying the ground state (GS) phase diagrams and the thermal variations of the order-parameters and the response functions, i.e. the susceptibility and the specific heat, in detail. The model presents second- and first-order phase transitions, and where their lines are combined is the tricritical point. The critical end points also exist. The reentrant behavior is also seen when the model presents two Néel temperatures.     

Understanding the time dependence of atomic level populations in evolving plasmas

The time dependence of atomic level populations in evolving plasmas is studied using an eigenfunction expansion of the non-LTE rate equations. The work aims to develop understanding without the need for, and as an aid to, numerical solutions. The discussion is mostly limited to linear systems, especially those for optically thin plasmas, but the implicitly non-linear case of non-LTE radiative transfer is briefly discussed. Eigenvalue spectra for typical atomic systems are examined using results compiled by Hearon. Diagonal dominance and sign symmetry of rate matrices show that just one eigenvalue is zero (corresponding to the equilibrium state), that the remaining eigenvalues have negative real parts, and that oscillations, if any, are necessarily damped. Gershgorin's theorems are used to show that many eigenvalues are determined by the radiative lifetimes of certain levels, because of diagonal dominance. With other properties, this demonstrates the existence of both “slow” and “fast” time-scales, where the “slow” evolution is controlled by properties of meta-stable levels. It is shown that, when collisions are present, Rydberg states contribute only “fast” eigenvalues. This justifies use of the quasi-static approximation, in which atoms containing just meta-stable levels can suffice to determine the atomic evolution on time-scales long compared with typical radiative lifetimes. Analytic solutions for two- and three-level atoms are used to examine the basis of earlier intuitive ideas, such as the “ionizing plasma” approximation. The power and limitations of Gershgorin's theorems are examined through examples taken from the solar atmosphere. The methods should help in the planning and interpretation of both experimental and numerical experiments in which atomic evolution is important. While the examples are astrophysical, the methods and results are applicable to plasmas in general.     

Elaboration of self-organized magnetic nanoparticles by selective cobalt silicidation

Self-organized magnetic nanoparticles are obtained through selective silicidation of cobalt using a silicon substrate pre-structured with tri-dimensional gold islands as template. On the step bunches array of a vicinal Si(1 1 1) surface, gold deposition results in the formation of nanodroplets aligned along the step bunches. A subsequent cobalt deposition is performed onto this gold islands-covered Si surface, with two silicidation processes investigated: reactive deposition (RD) and solid phase reaction (SPR). The cobalt is converted into a non-magnetic silicide film except where the surface is locally masked by the gold islands, giving rise to cobalt nanomagnets which can be capped by a gold layer. A scanning tunneling microscopy comparative study of RD and SPR processes demonstrates that the former induces strong surface morphology changes while the latter preserves the pristine islands. Magnetic measurements performed with alternating gradient force magnetometry at room temperature are used to demonstrate the presence of ferromagnetic cobalt nanoparticles on SPR-processed samples. These nanomagnets show a clear in-plane anisotropy behavior.     

Mean wind: Its velocity and temperature fluctuation in low-Prandtl-number thermal convection

Large-scale circulation in the confined thermal turbulence of mercury is studied experimentally. The instantaneous velocity profile at 128 points is directly measured using ultrasonic velocimetry and the temperature fluctuation is simultaneously obtained by a small thermistor at the cell center. The periodic velocity oscillation is observed for aspect ratios Γ=1,2, but for Γ=0.5. The temperature oscillation is confirmed only in the Γ=2 cell. It is found that the flow patterns depending on the aspect ratio are characterized sufficiently by the joint probability density function up to Ra=4×10⁸.     

Influence of the charge concentration on the density of states in a two-dimensional superconducting system

The gap and the density of states of high-T_c superconductors have been a subject of paramount interest. In order to explain the observed experimental behavior several pairing mechanisms in high-temperature superconductivity have been considered, by theoretical calculations. In this work, within the BCS scheme, a two-band model with energy band overlapping is introduced. The gap parameter and the density of states in a two-dimensional superconducting system are studied as functions of the charge concentration. This model is applied to Bi2212 in order to obtain numerical results.     

Chemically abrupt interface between Ce oxide and Fe films

A chemically abrupt Fe/Ce oxide interface can be formed by initial oxidation of an Fe film followed by deposition of Ce metal. Once a Ce oxide layer is formed on top of Fe, it acts a passivation barrier for oxygen diffusion. Further deposition of Ce metal followed by its oxidation preserve the abrupt interface between Ce oxide and Fe films. The Fe and Ce oxidation states have been monitored at each stage using X-ray photoelectron spectroscopy.     

Nonlinear statistical coupling

By considering a nonlinear combination of the probabilities of a system, a physical interpretation of Tsallis statistics as representing the nonlinear coupling or decoupling of statistical states is proposed. The escort probability is interpreted as the coupled probability, with Q=1−q defined as the degree of nonlinear coupling between the statistical states. Positive values of Q have coupled statistical states, a larger entropy metric, and a maximum coupled-entropy distribution of compact-support coupled-Gaussians. Negative values of Q have decoupled statistical states and for −2<Q<0 a maximum coupled-entropy distribution of heavy-tail coupled-Gaussians. The conjugate transformation between the heavy-tail and compact-support domains is shown to be for coupled-Gaussian distributions. This conjugate relationship has been used to extend the generalized Fourier transform to the compact-support domain and to define a scale-invariant correlation structure with heavy-tail limit distribution. In the present paper, we show that the conjugate is a mapping between the source of nonlinearity in non-stationary stochastic processes and the nonlinear coupling which defines the coupled-Gaussian limit distribution. The effects of additive and multiplicative noise are shown to be separable into the coupled-variance and the coupling parameter Q, providing further evidence of the importance of the generalized moments.     

Pricing European options with a log Student’s t-distribution: A Gosset formula

The distributions of returns for stocks are not well described by a normal probability density function (pdf). Student’s t-distributions, which have fat tails, are known to fit the distributions of the returns. We present pricing of European call or put options using a log Student’s t-distribution, which we call a Gosset approach in honour of W.S. Gosset, the author behind the nom de plume Student. The approach that we present can be used to price European options using other distributions and yields the Black-Scholes formula for returns described by a normal pdf.     

Odd-frequency pairing state in superconducting junctions

Using the quasiclassical Green's function formalism, we study the induced odd-frequency pairing states in ballistic normal metal-superconductor (N/S) junctions where a superconductor has even-frequency symmetry in the bulk and a normal metal layer has an arbitrary length. We show that the concept of the odd-frequency pairing state plays an important role to interpret a McMillan-Rowell bound state in the normal metal.