Excitons in Si nanocrystals

The states of electron-hole pairs in spherical silicon nanocrystals are theoretically studied using the “multiband” effective-mass approximation in the limit of an infinitely high potential barrier at the boundary. The degeneracy of the states at the top of the valence band is taken into account in the spherical approximation, and the ellipsoidal character of the electronic spectrum in the conduction band is allowed for. Coulomb interaction-induced corrections to the energy of an electron-hole pair are found.     

Effect of a magnetic field on thermally activated tunneling ionization of impurity centers in semiconductors

An expression for the probability of thermally activated tunneling ionization in an electric field in the presence of a magnetic field is obtained. It is shown that the logarithm of the ionization probability is proportional to the squared electric field, and the coefficient of proportionality decreases with increasing magnetic field. Pis’ma Zh. éksp. Teor. Fiz. 68, No. 10, 763–767 (25 November 1998)     

离子型共聚单体参与下的全氟丙烯酸酯无皂乳液共聚

离子型共聚单体参与下的全氟丙烯酸酯无皂乳液共聚;全氟烷基丙烯酸酯;无皂乳液;离子型共聚单体     

A 1.107 μm Yb3+-doped Phosphate Fiber Laser Pumped by a Ti:sapphire

Lasers and amplifiers in a single fiber have been developed rapidly, especially for optical fiber communication and various sensors, in the recent years. However, remarkable progress and achievement have been made mainly in silica fiber doped with rare earth elements. In this paper, we report the progress on the development of the Yb3+-doped phosphate fiber laser.     

Direct bandgap optical transitions in Si nanocrystals

JETP Letters - The effect of quantum confinement on the direct bandgap of spherical Si nanocrystals has been modelled theoretically. We conclude that the energy of the direct bandgap at the...     

Resonant acceptor states in uniaxially strained semiconductors

A new approach to calculating the parameters of resonant states is proposed, which also makes it possible to determine the probabilities of the resonant scattering and capture probabilities at the resonant state. This approach is based on the application of the method of configuration interaction, which was proposed for the first time by Fano for an analysis of field ionization of the helium atom. Following Fano, use is made of two different Hamiltonians of the initial approximation for the states of continuum and the initial local state. Following Dirac, the wave functions are constructed in the same way as in the general theory of scattering. A detailed analysis and specific calculations are made for resonant acceptor states in uniaxially strained germanium under a pressure directed along the [001] and [111] axes.     

Hydrophobic/hydrophilic solvation: inferences from Monte Carlo simulations and experiments

In this study Monte Carlo simulations are used to determine the solvation properties of model hydrophobic (xenon and hard sphere) and hydrophilic (dimethyl ether) solutes in SPC/E water. Various contributions to the experimental solvation entropy, including the solvent reorganization entropy, have been determined. The main conclusion drawn, which is in accord with solubility data, is that poor solubility correlates with poor solute-water interaction. At room temperature, energy dominates the aqueous solubility of both hydrophobic and hydrophilic solutes, rather than entropy. However, at higher temperatures the solubility can pass through a minimum, and then entropy becomes dominant. Another interesting finding is the presence of larger than expected cavities in water. Two different simulation results support this finding. This unexpected hollow structure in water explains why a hard sphere solute is more soluble in water than in a comparable hard sphere or Lennard-Jones solvent. Hydrogen bonding causes water to aggregate into clusters that produce a few large cavities rather than many smaller cavities. The propensity for clustering also explains why water gives the illusion of being a low density liquid. Sufficient theoretical apparatus is developed to connect theoretical solvation properties to those measured by simulation and experiment. Finally, based on gas solubility, an intuitive hydrophobic/hydrophilic scale is developed.     

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.     

Nanosecond dynamics of the near-infrared photoluminescence of Er-doped SiO2 sensitized with Si nanocrystals

We report on an observation of a fast 1.5 microm photoluminescence band from Er3+ ions embedded in an SiO2 matrix doped with Si nanocrystals, which appears and decays within the first microsecond after the laser excitation pulse. We argue that the fast excitation and quenching are facilitated by Auger processes related to transitions of confined electrons or holes between the space-quantized levels of Si nanocrystals dispersed in SiO2. We show that a great part--about 50%--of all Er dopants is involved in these fast processes and contributes to the submicrosecond emission.     

A molecular dynamics study of carbon dioxide in water: diffusion,structure and thermodynamics

Atomistic simulations are reported of a model of CO₂ in water. CO₂ is modelled by partial charges and Lennard-Jones interaction sites on each atom; the SPC/E model for water is used. Good agreement with experiment is found for the translational diffusion constants. The variation of the dynamics with the potential parameter was investigated. As expected, the orientational correlation times increase as the magnitude of the quadrupole moment is increased, but the translational diffusion constants are found to be surprisingly insensitive to the magnitude of the CO₂ quadrupole moment. The translational friction coefficient was resolved into electrostatic, Lennard-Jones and cross-terms; the Lennard-Jones contribution is found to be the largest. Varying the Lennard-Jones size parameter affects both translational and reorientational motion. In order to try to understand these results further, the variation of solvation free energy was investigated and the solvent structure around carbon dioxide was examined as the electrostatic and Lennard-Jones parameters were changed. The temperature dependence of the self-diffusion constant of pure SPC/E water was determined.