Theoretical modeling of excitation and de-excitation processes of Er in SiO2 with Si nanocrystals

We construct the theory of carriers confined in Si quantum dots with finite energy barriers for electrons and holes in the framework of the multiband effective mass theory. We apply this theory for theoretical modeling of the excitation of erbium inside and outside of Si nanocrystals in SiO₂ matrix due to the Auger process induced by the recombination of a confined electron-hole pair as well as the intraband transitions of “hot” confined carriers. Auger de-excitation processes of the Er³⁺ ion leading to the quenching of erbium luminescence are discussed as well.     

“Step-up” versus “step-down” scattering asymmetry in the neutralization of H on free-electron vicinal metal surfaces

The charge transfer between H⁻ and a free-electron vicinal metallic surface is studied using a wave-packet propagation method. We apply a statistical Thomas-Fermi-von Weizsäcker model with a local density approximation for the exchange-correlation energy to compute the ground-state electronic structure of the substrate. The long-range image charge effects in the electron transfer are included on a phenomenological level. We obtain the ion-survival probability from a rate equation for a set of realistic scattering trajectories of projectiles that are incident with a kinetic energy of 50 eV. Our calculations reveal a pronounced substrate orientation dependence of the charge transfer dynamics expressed in a “left-right” (or “step-up-step-down”) scattering asymmetry in the final ion-survival probability, which is caused by an enhancement of electron loss on the outgoing part of those ion trajectories which approach steps from below.     

The role of the “Casimir force analogue” at the microscopic processes of crystallization and melting

Melting (crystallization), a phase transition from a crystalline solid to a liquid state, is a common phenomenon in nature. We suggest a new factor, “the Casimir force analogue”, to describe mechanisms of melting and crystallization. The Casimir force analogue is a force occurring between the surfaces of solid and liquid phases of metals caused by different energy density of phonons of these phases. It explains abrupt changes in geometry and thermodynamic parameters at a melting point. “The Casimir force analogue” helps to estimate latent melting heat and to gain an insight into a solid–liquid transition problem.     

The Si(1 1 1)-(7 × 7) reconstruction: A surface close to a Mott-Hubbard metal-insulator transition?

Li adsorption at extremely low coverages on the “metallic” Si(1 1 1)-(7 × 7) surface has been experimentally studied recently by β-NMR experiments. Instead of increasing linearly with the sample temperature, as expected for a metallic system, the relaxation rate α = 1/T₁ is almost constant in between 50 K and 300 K sample temperature and rises Arrhenius like above. In order to understand this behaviour in a transparent way a closed form analysis is presented using rectangular density of states distributions. The almost temperature independent relaxation rate below 300 K points to an extremely localized and thus narrow band (width about 10 meV) which pins the Fermi energy. Because of the steeply rising relaxation rate beyond 300 K it is located energetically within a gap (about 380 meV wide) in between a lower filled and an upper empty (Hubbard) band. In dynamical mean field theories based on Hubbard Hamiltonians this kind of density of states is typical for correlated electron systems close to a Mott-Hubbard metal-insulator transition.     

A kinetic Monte Carlo/UBI-QEP model of O2 adsorption on fcc (1 1 1) metal surfaces

The previously developed kinetic Monte Carlo model of molecular oxygen adsorption on fcc (1 0 0) metal surfaces has been extended to fcc (1 1 1) surfaces. The model treats uniformly all elementary steps of the process—O₂ adsorption, dissociation, recombination, desorption, and atomic oxygen hopping—at various coverages and temperatures. The model employs the unity bond index—quadratic exponential potential (UBI-QEP) formalism to calculate coverage-dependent energetics (atomic and molecular binding energies and activation barriers of elementary steps) and a Metropolis-type algorithm including the Arrhenius-type reaction rates to calculate coverage- and temperature-dependent features, particularly the adsorbate distribution over the surface. Optimal values of non-energetic model parameters (the spatial constraint, a travel distance of “hot” atoms, attempt frequencies of elementary steps) have been chosen. Proper modifications of the fcc (1 0 0) model have been made to reflect structural differences in the fcc (1 1 1) surface, in particular the presence of two different hollow sites (fcc and hcp). Detailed simulations were performed for molecular oxygen adsorption on Ni(1 1 1). We found that at very low coverages, only O₂ adsorption and dissociation were effective, while O₂ desorption and O₂ and O diffusion practically did not occur. At a certain O + O₂ coverage, the O₂ dissociation becomes the fastest process with a rate one-two orders of magnitude higher than adsorption. Dissociation continuously slows down due to an increase in the activation energy of dissociation and due to the exhaustion of free sites. The binding energies of both molecular and atomic oxygen decrease with coverage, and this leads to greater mobility of atomic oxygen and more pronounced desorption of molecular oxygen. Saturation is observed when the number of adsorbed molecules becomes approximately equal to the number of desorbed molecules. Simulated coverage dependences of the sticking probability and of the atomic binding energy are in reasonable agreement with experimental data. From comparison with the results of the previous work, it appears that the binding energy profiles for Ni(1 1 1) and Ni(1 0 0) have similar shapes, although at any coverage the absolute values of the oxygen binding energy are higher for the (1 0 0) surface. For metals other than Ni, particularly Pt, the model projections were found to be too parameter-dependent and therefore less certain. In such cases further model developments are needed, and we briefly comment on this situation.     

“Rotating” steps in Si(0 0 1) homoepitaxy

Steps on Si(0 0 1) surfaces which are initially not aligned along the high symmetry directions of the dimer reconstruction are observed, by scanning tunneling microscopy, to “rotate” toward [1 1 0] directions during Si growth. This step “rotation” occurs due to a faceting of the step edges. A theoretical analysis of adatom incorporation into the steps shows that this kinetic instability may be caused by a suppressed mobility of the growing species along the S_A step edge.     

The influence of the inertial medium relaxation component on the kinetics of “hot” transitions

The probabilities of “hot” electronic transitions for inertial (Gauss correlation function) and diffusion (exponential correlation function) polar solvent relaxation modes were calculated. It was shown that the probabilities of transitions for inertial and diffusion relaxation could differ by two-three times. The possibility and conditions of the replacement of the inertial by diffusion relaxation component were studied in the simulation of electronic transition kinetics in real solvents.     

In situ Video-STM study of the potential-induced (1 × 1) → “hex” transition on Au(1 0 0) electrode surfaces in Cl containing solution

The potential-induced (1 × 1) → “hex” transition on Au(1 0 0) electrodes in 0.01 M Na₂SO₄ + 1 mM HCl was studied by in situ scanning tunneling microscopy at high time resolution (Video-STM). According to these observations the elementary units of the “hex” surface reconstruction, hexagonally-ordered strings in the Au surface layer, are highly dynamic nanoscale objects. Isolated “hex” strings exhibit dynamic fluctuations in structure and position on the millisecond timescale. These fluctuations exceed the mobility of multistring “hex” domains by several orders of magnitude and can be explained by collective dynamic processes within the strings. Furthermore, the observations reveal a novel 1D mass transport mechanism along the strings, details on the nucleation and growth of “hex” strings and complex string restructuring processes, facilitating “hex” domain ripening.     

Observation of double- to single-domain transition on the Eu/Si(1 0 0) surface by LEED and STM

The orientational phase diagram and morphology of the Eu-adsorbed Si(1 0 0) surface miscut by 0.4° have been studied by low-energy electron diffraction and scanning tunneling microscopy. We demonstrate that the original double-domain configuration with single-layer steps on the Si(1 0 0) substrate can be drastically broken at 0.4 monolayer (ML) of Eu. At this coverage, the ordered domain pattern formed by topographically non-equivalent terraces with Eu-induced 2 × 3 and “2 × 1” (so-called “wavy” structure) reconstructions is found, while no orthogonal 3 × 2 and “1 × 2” domains are observed. A model of the single-domain surface is proposed. The origin of the double- to single-domain transition found for the Eu/Si(1 0 0) system is discussed.     

Elastic modes frequencies in the mirrors with “ears” for parametric oscillatory instability in advanced LIGO interferometer

We discuss the importance of accurate numerical calculation of elastic modes in the mirrors with suspension “ears” in advanced LIGO interferometer to enable precise predictions of parametric oscillatory instability problem. We show that “ears” of test masses produce additional shift of elastic modes frequencies which is larger than relaxation rate of optical modes. These shifts may increase the possibility of parametric oscillatory instability.     

“Quantization” of the q-vector in microcrystals of K0.3MoO3 and NbSe3

We report steps of conductivity between discrete conducting states in microsamples of quasi-one-dimensional conductors K_0.3MoO₃ and NbSe₃. The steps reveal single phase-slip events, and the discrete states reveal “quantization” of the wave vector q of the charge-density wave. The “quantization” is observed due to the coherence of the CDW within the sample volume and tight boundary conditions at the contacts. The distribution of steps in temperature gives the temperature dependences of the q-vectors, while the steps' height provides the carriers' mobilities. For the case of NbSe₃ we give the 1st direct confirmation of the extremely high mobility of the “pocket” holes at low temperatures.     

A comment on the paper “Stochastic feedback, nonlinear families of Markov processes, and nonlinear Fokker-Planck equations” by T.D. Frank

The purpose of this comment is to correct mistaken assumptions and claims made in the paper “Stochastic feedback, nonlinear families of Markov processes, and nonlinear Fokker-Planck equations” by T. D. Frank [T.D. Frank, Stochastic feedback, non-linear families of Markov processes, and nonlinear Fokker-Planck equations, Physica A 331 (2004) 391]. Our comment centers on the claims of a “non-linear Markov process” and a “non-linear Fokker-Planck equation.” First, memory in transition densities is misidentified as a Markov process. Second, the paper assumes that one can derive a Fokker-Planck equation from a Chapman-Kolmogorov equation, but no proof was offered that a Chapman-Kolmogorov equation exists for the memory-dependent processes considered. A “non-linear Markov process” is claimed on the basis of a non-linear diffusion pde for a 1-point probability density. We show that, regardless of which initial value problem one may solve for the 1-point density, the resulting stochastic process, defined necessarily by the conditional probabilities (the transition probabilities), is either an ordinary linearly generated Markovian one, or else is a linearly generated non-Markovian process with memory. We provide explicit examples of diffusion coefficients that reflect both the Markovian and the memory-dependent cases. So there is neither a “non-linear Markov process”, nor a “non-linear Fokker-Planck equation” for a conditional probability density. The confusion rampant in the literature arises in part from labeling a non-linear diffusion equation for a 1-point probability density as “non-linear Fokker-Planck,” whereas neither a 1-point density nor an equation of motion for a 1-point density can define a stochastic process. In a closely related context, we point out that Borland misidentified a translation invariant 1-point probability density derived from a non-linear diffusion equation as a conditional probability density. Finally, in the Appendix A we present the theory of Fokker-Planck pdes and Chapman-Kolmogorov equations for stochastic processes with finite memory.     

5d-level energies of Ce and the crystalline environment. IV. Aluminates and “simple” oxides

Information on the energy of 5d-levels of Ce³⁺ ions in aluminates and “simple” oxides has been collected. The crystal field splitting of the 5d-levels is interpreted in terms of the type and size of anion polyhedron coordinating the Ce³⁺ ion. The centroid (barycenter) shift of the 5d-configuration is analyzed by a ligand polarization model providing values for the spectroscopic polarizability α_sp of the anion ligands. The data provide evidence that the centroid shift behaves independently from the crystal field splitting. By combining centroid shift and crystal field splitting, the “spectroscopic” redshift of the first electric dipole-allowed fd transition of Ce³⁺-doped in the compounds will be interpreted. The large crystal field splitting in garnet compounds and the small splitting in perovskite compounds will be discussed.     

Cat & Celeste: Gamma astronomy at thémis

Two independent sampling arrays, THEMISTOCLE and ASGAT, were installed in 1988 on the site of a former power solar, “Thémis”, in the french Pyrenees. Shortly after the discovery of the TeV gamma-ray emission from the Crab Nebula by the imaging telescope of the Whipple Observatory, the “Thémis” arrays confirmed these observations and extended them to higher energies. They are now interconnected with a new imaging telescope whose expected energy threshold is about 200 GeV. This last device is under commissioning at the time of this Symposium. The complete setup is named “CAT” for “Cherenkov Array at Thémis”. Furthermore, the overall Thémis solar plant will soon be reactivated as a γ-ray detector, most of its heliostats back to operation, a large secondary mirror taking the place of the solar furnace. This approved CELESTE project will represent a further step towards low energies, hopefully closing the gap between space and ground-based observations.     

Change of thermotropic properties in liquid crystal with multiple phase transitions: Surface “aging” effect

The effect of surface “aging” on thermotropic properties of polymorphic mesogen, 4-butoxyphenylester of 4-decyloxybenzoic acid (BPEDBA) which exhibits the smectic G, smectic C, smectic A, and nematic mesophases has been investigated. Temperatures of direct and reverse phase transitions and temperature widths of the heterophase regions have been determined with high accuracy. The shift of the phase transition temperatures and change of the temperature widths of the heterophase regions under the influence of surface “aging” have been reported.     

The roles of “ammonium” and “hydrogen-bond” protons in single crystals of the superionic conductor NH4HSeO4 by H NMR relaxation

The variations with temperature of the line-shape, spin-lattice relaxation time, T₁, and spin-spin relaxation time, T₂, of the ¹H nuclei in NH₄HSeO₄ single crystals were investigated, and with these ¹H NMR results we were able to distinguish the crystals’ “ammonium” and “hydrogen-bond” protons. The line width of the signal due to the ammonium protons abruptly narrows near the temperature of the superionic phase transition, T_SI, which indicates that they play an important role in this phase transition. The ¹H T₁ for NH₄⁺ and HSeO₄⁻ in NH₄HSeO₄ do not change significantly near the ferroelectric phase transition of T_C1 (=250 K) and the incommensurate phase transition of T_i (=261 K), whereas they change near the temperature of the superionic phase transition T_SI (=400 K). Our results indicate that the main contribution to the low-temperature phase transition below T_SI is that of the molecular motion of ammonium and hydrogen-bond protons, and the main contribution to the conductivity at high temperatures above T_SI is the breaking of the O-H?O bonds and the formation of new H- bonds in HSeO₄⁻. In addition, we compare these results with those for the NH₄HSO₄ and (NH₄)₃H(SO₄)₂ single crystals, which have similar hydrogen-bonded structure.     

Morphological evolution of SiGe layers

Extensive research activity has been devoted to self-assembly of very small coherent islands. However, while island formation is commonly described by a widely used S-K growth scheme, more complex mechanisms based on competitive effects of kinetics and thermodynamics take place during the epitaxy of Si_1−xGe_x on Si(0 0 1). The aim of this paper is to explain the formation and the evolution of Si_1−xGe_x islands on Si(0 0 1). The paper presents a comprehensive investigation of the different growth modes of Si_1−xGe_x films (with x varying from 0 to 1) on Si(0 0 1) and Si(1 1 1). The results are presented in the form of kinetic morphological growth diagrams of as-grown samples. Two and four growth regimes are distinguished on (1 1 1) and (0 0 1) respectively. These growth regimes correspond to different levels of relaxation. In particular the four regimes observed on Si(0 0 1) correspond to (i) no relaxation in regime I (2D layer), (ii) 15-20% relaxation in regime II (“huts” islands with (1 0 5) facets), (iii) 20% and 50% relaxation in regime III (in “huts” and “domes” respectively) and (iv) 50% and 80% relaxation in regime IV (“domes” with bimodal size distribution). Every growth regime characteristic of as-grown sample is also associated with a specific equilibrium steady state morphology which is obtained after long-term annealing of the as-grown samples. In the two first regimes (no or small strain relaxation) the equilibrium morphology of highly strained Si_1−xGe_x deposits corresponds to (1 0 5) faceted islands. We show that these islands are stabilised by the compressive stress. As soon as strain is released, (1 0 5) facets disappear at the expense of the (1 1 3) and (1 1 1) facets and first-order transition occurs between “huts” and “domes” islands.     

The instability of vicinal electrode surfaces against step bunching I: Experiment

Using electrochemical STM we have studied the stability of arrays of parallel, single atom height steps on vicinal Ag(1 1 1) electrodes in electrolyte. We find that the steps for Ag(1 1 1) electrodes are unstable and form first double-steps and later multiple steps, separated by wide, flat terraces. In this paper denoted as “I: Experiment” we deal with the experimental aspects whereas theoretical aspects are discussed in the following paper “II: Theory”.     

Econophysical visualization of Adam Smith’s invisible hand

Consider a complex system whose macrostate is statistically observable, but yet whose operating mechanism is an unknown black-box. In this paper we address the problem of inferring, from the system’s macrostate statistics, the system’s intrinsic force yielding the observed statistics. The inference is established via two diametrically opposite approaches which result in the very same intrinsic force: a top-down approach based on the notion of entropy, and a bottom-up approach based on the notion of Langevin dynamics. The general results established are applied to the problem of visualizing the intrinsic socioeconomic force–Adam Smith’s invisible hand–shaping the distribution of wealth in human societies. Our analysis yields quantitative econophysical representations of figurative socioeconomic forces, quantitative definitions of “poor” and “rich”, and a quantitative characterization of the “poor-get-poorer” and the “rich-get-richer” phenomena.     

Formation mechanism of “memory” phenomenon of microchannel plate image intensifier

A discrete resistance capacitance dynodes chain of channel multiplication model worked in a continuous variable dynode number described here is an attempt to explain the formation mechanism of “memory” phenomenon of microchannel plate image intensifier, wherein it was concluded conclusion that “memory” phenomenon of image intensifiers were the results of a silicon-rich layer, which existed between emission layer and conduction layer of channel inner wall of microchannel plate, having much higher resistance as compared with the conduction layer, and there are two distinct appearance ways of “negative memory” and “positive memory” only due to a difference in illumination and duration of the image intensifier suffered, and a strictly controlled MCP manufacture process would make considerable reduction of “memory” phenomenon occurrence ratio.