Potential energy curve of Be2 in its ground electronic state

The potential energy curve of Be₂ in its ground electronic state is constructed by morphing accurate MR-CI ab initio potentials from the literature to available experimental ro-vibrational data within the framework of the reduced potential curve (RPC) approach of Jen? and Plíva [Adv. At. Mol. Phys. 19 (1983) 265-307]. The resulting potential energy curves are in close harmony with experiment allowing thus for reliable prediction of the so-far experimentally unprobed part of the molecular potential energy function.     

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.     

Damping of the domain walls motion in Co-based amorphous ribbons with helical magnetic anisotropy: Part III

The damping of the motion of domain walls of a sandwich domain structure by the eddy currents magnetic fields, the stray fields and the hysteresis friction fields is investigated. The blocking of the motion of domain walls by the eddy currents magnetic fields is discovered.     

Transport of waves in disordered waveguides: A potential model

We study the statistical properties of wave transport in a disordered waveguide. We first derive the properties of a “building block” (BB) of length δL starting from a potential model consisting of thin potential slices. We then find a diffusion equation—in the space of transfer matrices that describe our system—which governs the evolution with the length L of the disordered waveguide of the transport properties of interest. The latter depend only on the mean free paths and on no other property of the slice distribution. The universality that arises demonstrates the existence of a generalized central-limit theorem. We have developed a numerical simulation in which the universal statistical properties of the BB found analytically are first implemented numerically, and then the various BBs are combined to construct the full waveguide. The reported results thus obtained are in good agreement with microscopic calculations, for both bulk and surface disorder.     

Partial equivalence of statistical ensembles and kinetic energy

The phenomenon of partial equivalence of statistical ensembles is illustrated by discussing two examples, the mean-field XY and the mean-field spherical model. The configurational parts of these systems exhibit partial equivalence of the microcanonical and the canonical ensemble. Furthermore, the configurational microcanonical entropy is a smooth function, whereas a nonanalytic point of the configurational free energy indicates the presence of a phase transition in the canonical ensemble. In the presence of a standard kinetic energy contribution, partial equivalence is removed and a nonanalyticity arises also microcanonically. Hence in contrast to the common belief, kinetic energy, even though a quadratic form in the momenta, has a nontrivial effect on the thermodynamic behaviour. As a by-product we present the microcanonical solution of the mean-field spherical model with kinetic energy for finite and infinite system sizes.     

A half-moment model for radiative transfer in a 3D gray medium and its reduction to a moment model for hot, opaque sources

We present in this paper a new 3D half-moment model for radiative transfer in a gray medium, called the model, which uses maximum entropy closure. This model is a generalization to 3D of the 1D version recently proposed in (J. Comp. Phys. 180 (2002) 584). The direction space Ω is divided into two pieces, Ω⁺ and Ω^-, in a dynamical way by the plane perpendicular to the total radiative flux, and the half moments are defined from these subspaces. The model closure and the integrations of the radiative transfer equation performed on the moving Ω^± spaces are detailed. 1D planar results, which have motivated the extension of the model of (J. Comp. Phys. 180 (2002) 584) to multi-dimensions, are shown. These results are very good. The model is thereafter derived for 3D spherically symmetric geometry, where the correctness of the non-trivial border terms can be checked. Two 3D spherically symmetric problems are numerically solved in order to show the accuracy of the closure and the role of the border terms. Once again, compared to the solution obtained with a ray tracing solver, results are very good. From the 3D half-moment model, a new moment model, called , is derived for the particular case of a 3D hot and opaque source radiating into a cold medium, for applications such as simulations of stellar atmospheres and fires. Two-dimensional numerical results are presented and compared to those obtained solving the RTE and with other moment models. They demonstrate the very good accuracy of the model, its good convergence properties, and better prediction compared to all other existing moment models in its domain of applicability.     

The Gaussian effective potential and stochastic partial differential equations

We investigate arbitrary stochastic partial differential equations subject to translation invariant and temporally white noise correlations from a nonperturbative framework. The method that we expose first casts the stochastic equations into a functional integral form, then it makes use of the Gaussian effective potential approach, which is an useful tool for describing symmetry breaking. We apply this method to the Kardar-Parisi-Zhang equation and find that the system exhibits spontaneous symmetry breaking in and (3+1) Euclidean dimensions, providing insight into the evolution of the system configuration due to the presence of noise correlations. A simple and systematic approach to the renormalization, without explicit regularization, is employed.     

Surface restructuring process on a Ag/Ge(0 0 1) surface studied by photoelectron spectroscopy

The atomic structure and charge distribution of Ag adsorbed Ge(0 0 1) surfaces have been investigated by means of Ge 3d core- and Ag 4d core-levels photoelectron spectroscopy. A mono-atomic layer of Ag was deposited on the clean Ge(0 0 1) c(4×2) surface at 80 K. The Ge 3d spectrum measured at 80 K was deconvoluted into two surface components, which is consistent with the previously proposed Ag ad-dimer model. After annealing the surface at room temperature, the rearrangement of the charge distribution was revealed to include electron transfer from Ge to Ag in conjunction with the surface restructuring process by the annealing.     

The static and dynamic properties of PuCoGa5 and NpCoGa5 investigated by neutron scattering experiments

Neutron scattering results on single crystals shed light on the static and dynamic properties of the superconductor () PuCoGa₅ and its isostructural but antiferromagnetic () homologue NpCoGa₅. By polarized neutron diffraction the magnetization density in the paramagnetic state of both compounds has been inferred. The microscopic magnetization of NpCoGa₅ is consistent with the orbital and spin components of a localized Np³⁺ magnetic moment. In the case of PuCoGa₅ the microscopic magnetization is small, temperature-independent and cannot be described as a localized Pu³⁺ magnetic moment. For NpCoGa₅ a dynamic magnetic signal has been observed by three-axis spectroscopy in the antiferromagnetically ordered state. The magnetic signal is strongest at the antiferromagnetic zone center and an energy transfer of about 5 meV. Magnetic fluctuations persist at this position in the paramagnetic state. The dynamic response is similar to the dynamic response observed in other actinide intermetallic compounds. This supports the possibility that magnetic fluctuations could also be present in the paramagnetic superconductor PuCoGa₅.     

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.     

Nanoscale observations of the operational failure for phase-change-type nonvolatile memory devices using Ge2Sb2Te5 chalcogenide thin films

In this study, a phase-change memory device was fabricated and the origin of device failure mode was examined using transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDS). Ge₂Sb₂Te₅ (GST) was used as the active phase-change material in the memory device and the active pore size was designed to be 0.5 m. After the programming signals of more than 2×10⁶ cycles were repeatedly applied to the device, the high-resistance memory state (reset) could not be rewritten and the cell resistance was fixed at the low-resistance state (set). Based on TEM and EDS studies, Sb excess and Ge deficiency in the device operating region had a strong effect on device reliability, especially under endurance-demanding conditions. An abnormal segregation and oxidation of Ge also was observed in the region between the device operating and inactive peripheral regions. To guarantee an data endurability of more than 1×10¹⁰ cycles of PRAM, it is very important to develop phase-change materials with more stable compositions and to reduce the current required for programming.     

Frequency-dependent linear and non-linear response properties of single carrier quantum dots: Role of effective mass and anharmonicity in the confinement potential

We explore the pattern of frequency-dependent linear and non-linear optical (NLO) response of one electron quantum dots harmonically confined in two dimensions. For some fixed values of transverse magnetic field strength (ω_c), and harmonic confinement potential (ω₀), the influence of effective mass (m^*) of the system and the symmetry breaking anharmonic interaction on the frequency-dependent linear (α), and the first (β), and second (γ) NLO responses of the dot is computed through linear variational route. The investigation reveals interesting roles played by the anharmonic interaction and effective mass in modulating the response properties.     

Anti-persistence in levels of Lake Naivasha: Assessing effect of human intervention through time-series analysis

Lake Naivasha in Kenya is an important natural fresh water reserve, supporting surrounding wildlife as well as agriculture and industry. Uncontrolled use of the lake water for the past few decades is causing concern for environmentalists. In the present paper, fluctuations in the lake level for the last half century are analysed using standard tools for time-series analysis. The intervals 1951-1980 (period I) and 1981-2000 (period II) are treated separately, to look for any difference in their statistical patterns. From period II onwards, increased human consumption is believed to affect the level significantly. We analyse the data using three different approaches: (i) rescaled range analysis (R/S), (ii) roughness scaling analysis and (iii) a Lomb periodogram. R/S analysis shows no difference between the behavior in periods I and II, but the other methods reveal different fluctuation patterns for the two periods. The water level shows stronger fluctuations in period I compared to II. R/S analysis, however, shows an interesting anti-persistence with a Hurst exponent 0.44, which is not usually observed in natural time series.     

Fluorescence of the C60-pyridine system in electrochemistry reduction processes

Three groups of strong fluorescence peaks of C₆₀, centered at 440, 575 and 700 nm, are observed in the supersaturated C₆₀-pyridine solution, and the onsite fluorescence spectra of this C₆₀-pyridine system in the first and second electrochemistry reduction processes are obtained for the first time. The results indicate that the fluorescence peaks centered at 440 nm originate from C₆₀ molecules dissolved in supersaturated C₆₀-pyridine solution, while fluorescence bands centered at 575 and 700 nm are emitted from undissolved C₆₀. It is also proved that a strong charge transfer interaction, which is significant for the symmetry increase of , as well as the formation of a transmission channel of energy, occurs between and pyridine, as is supported by surface-enhanced Raman scattering (SERS) spectra as well.     

Josephson effect in supercondutor/ferromagnetic semiconductor/superconductor junctions

Using a general expression for dc Josephson current, we study the Josephson effect in ballistic superconductor (SC)/ferromagnetic semiconductor (FS)/SC junctions, in which the mismatches of the effective mass and Fermi velocity between the FS and SC, spin polarization P in the FS, as well as strengths of potential scattering Z at the interfaces are included. It is shown that in the coherent regime, the oscillatory dependences of the maximum Josephson current on the FS layer thickness L and Josephson current on the macroscopic phase difference φ for the heavy and light holes, resulting from the spin splitting energy gained or lost by a quasiparticle Andreev-reflected at the FS/SC interface, are much different due to the different mismatches in the effective mass and Fermi velocity between the FS and the SC, which is related to the crossovers between positive (0) and negative (π) couplings or equivalently 0 and π junctions. Also, we find that, for the same reason, Z and P are required not to surpass different critical values for the Josephson currents of the heavy and light holes. Furthermore, it is found that, for the dependence of the Josephson current on φ, regardless of how L,Z, and P change, the Josephson junctions do not transit between 0 and π junctions for the light hole.     

Fe monolayers on InAs(0 0 1): An in situ study of surface, interface and volume magnetic anisotropy

The magnetic anisotropy of epitaxial Fe films with thicknesses in the range of 2-142 monolayers (ML) grown on {4×2} reconstructed InAs(0 0 1) was investigated by in situ ferromagnetic resonance. The easy magnetization direction was found to be parallel to the -direction for Fe films below 4 ML, while it rotates by 45^° toward the -direction. It is observed that both surface-interface and volume contribution to the perpendicular anisotropy favor an easy axis perpendicular to the film plane. The cubic surface-interface anisotropy is relatively large with easy axes along -directions in contrast to the volume contribution which favors easy axes along the -directions. The volume contribution is found to be larger than the Fe bulk cubic anisotropy. A thickness independent uniaxial anisotropy has been found in films with a thickness of 2 up to 142 ML.     

Growth, coalescence, and electrical resistivity of thin Pt films grown by dc magnetron sputtering on SiO2

Ultra thin platinum films were grown by dc magnetron sputtering on thermally oxidized Si (1 0 0) substrates. The electrical resistance of the films was monitored in situ during growth. The coalescence thickness was determined for various growth temperatures and found to increase from 1.1 nm for films grown at room temperature to 3.3 nm for films grown at 400 °C. A continuous film was formed at a thickness of 2.9 nm at room temperature and 7.5 nm at 400 °C. The room temperature electrical resistivity decreases with increased growth temperature, while the in-plain grain size and the surface roughness, measured with a scanning tunneling microscope (STM), increase. Furthermore, the temperature dependence of the film electrical resistance was explored at various stages during growth.