Effects of Lorentz local field correction on propagation properties of few-cycle pulse in dense Λ-type atomic medium

By solving numerically the full Maxwell-Bloch equations without the slowly varying envelope approximation and the rotating-wave approximation, we investigate the effects of Lorentz local field correction (LFC) on the propagation properties of few-cycle laser pulse in a dense A-type three-level atomic medium. We find that: when the area of the input pulse is larger, split of pulse occurs and the number of the sub-pulses with LFC is larger than that without LFC; at the same distance, the time interval between the first sub-pulse and the second sub-pulse in the case without LFC is longer than that with LFC, the time of pulse appearing in the case without LFC is later than that in the case with LFC, and the two phenomena are more obvious with propagation distance increasing; time evolution rules of the populations of levels vertical bar 1 >, vertical bar 2 > and vertical bar 3 > in the two cases with and without LFC are much different. When the area of the input pulse is smaller, effects of LFC on time evolutions of the pulse and populations are remarkably smaller than those in the case of larger area pulse. (c) 2008 Elsevier B.V. All rights reserved.

Approximate analytical description for fundamental-mode fields of graded-index fibers: Beyond the Gaussian approximation

An approximate analytical description for fundamental-mode fields of graded-index fibers is explicitly presented by use of the power-series expansion method, the maximum-value condition at the fiber axis, the decay properties of fundamental-mode fields at large distance from the fiber axis, and the approximate modal parameters U obtained from the Gaussian approximation. This analytical description is much more accurate than the Gaussian approximation and at the same time keep the simplicity of the latter. As two special examples, we present the approximate analytical formulas for the fundamental-mode fields of a step profile fiber and a Gaussian profile fiber, and we find that they are both highly accurate in the single-mode range by comparing them with the corresponding exact solutions.

Optical properties of UO2 and PuO2

We perform first-principles calculations of electronic structure and optical properties for UO2 and PuO2 based on the density functional theory using the generalized gradient approximation (GGA) + U scheme. The main features in orbital-resolved partial density of states for occupied f and p orbitals, unoccupied d orbitals, and related gaps are well reproduced compared to experimental observations. Based on the satisfactory ground-state electronic structure calculations, the dynamical dielectric function and related optical spectra, i.e., the reflectivity, adsorption coefficient, energy-loss, and refractive index spectrum, are obtained. These results are consistent with the available experiments.

Structural, mechanical, thermodynamic, and electronic properties of thorium hydrides from first-principles

We perform first-principles calculations of the structural, electronic, mechanical, and thermodynamic properties of thorium hydrides (ThH2 and Th4H15) based on the density functional theory with generalized gradient approximation. The equilibrium geometries, the total and partial densities of states, charge density, elastic constants, elastic moduli, Poisson's ratio, and phonon dispersion curves for these materials are systematically investigated and analyzed in comparison with experiments and previous calculations. These results show that our calculated equilibrium structural parameters are well consistent with experiments. The Th-H bonds in all thorium hydrides exhibit weak covalent character, but the ionic properties for ThH2 and Th4H15 are different due to their different hydrogen concentration. It is found that while in ThH2 about 1.5 electrons transfer from each Th atom to H, in Th4H15 the charge transfer from each Th atom is around 2.1 electrons. Our calculated phonon spectrum for the stable body-centered tetragonal phase of ThH2 accords well with experiments. In addition we show that ThH2 in the fluorite phase is mechanically and dynamically unstable.

Transmission properties of electron in quantum rings

We investigated the transmission probability of a single electron transmission through a quantum ring device based on the single-band effective mass approximation method and transfer matrix theory. The time-dependent Schrodinger equation is applied on a Gaussian wave packet passing through the quantum ring system. The electron tunneling resonance peaks split when the electron transmits through a double quantum ring. The splitting energy increases as the distance between the two quantum rings decreases. We studied the tunneling time through the single electron transmission quantum ring from the temporal evolution of the Gaussian wave packet. The electron probability density is sensitive to the thickness of the barrier between the two quantum rings. (C) 2008 American Institute of Physics.

Electronic structures and mechanical properties of uranium monocarbide from first-principles LDA plus U and GGA plus U calculations

The electronic structure, elastic constants, Poisson's ratio, and phonon dispersion curves of UC have been systematically investigated from the first-principles calculations by the projector-augmented-wave (PAW) method. In order to describe precisely the strong on-site Coulomb repulsion among the localized U 5f electrons, we adopt the local density approximation (LDA) + U and generalized gradient approximation (GGA) + U formalisms for the exchange correlation term. We systematically study how the electronic properties and elastic constants of UC are affected by the different choice of U as well as the exchange-correlation potential. We show that by choosing an appropriate Hubbard U parameter within the GGA + U approach, most of our calculated results are in good agreement with the experimental data. Therefore. the results obtained by the GGA + U with effective Hubbard parameter U chosen around 3 eV for UC are considered to be reasonable. (C) 2009 Elsevier B.V. All rights reserved.

Structural, elastic, and electronic properties of cubic perovskite BaHfO3 obtained from first principles

We investigated the structural, elastic, and electronic properties of the cubic perovskite-type BaHfO3 using a first-principles method based on the plane-wave basis set. Analysis of the band structure shows that perovskite-type BaHfO3 is a wide gap indirect semiconductor. The band-gap is predicted to be 3.94 eV within the screened exchange local density approximation (sX-LDA). The calculated equilibrium lattice constant of this compound is in good agreement with the available experimental and theoretical data reported in the literatures. The independent elastic constants (C-11, C-12, and C-44), bulk modules B and its pressure derivatives B', compressibility beta, shear modulus G, Young's modulus Y, Poisson's ratio nu, and Lame constants (mu, lambda) are obtained and analyzed in comparison with the available theoretical and experimental data for both the singlecrystalline and polycrystalline BaHfO3. The bonding-charge density calculation make it clear that the covalent bonds exist between the Hf and 0 atoms and the ionic bonds exist between the Ba atoms and HfO3 ionic groups in BaHfO3. (C) 2009 Elsevier B.V. All rights reserved.

Quantum Confinement and Electronic Properties of Rutile TiO2 Nanowires

The quantum confinement effect, electronic properties, and optical properties of TiO2 nanowires in rutile structure are investigated via first-principles calculations. We calculate the size- and shape-dependent band gap of the nanowires and fit the results with the function E-g = E-g(bulk) + beta/d(alpha). We find that the quantum confinement effect becomes significant for d < 25 angstrom, and a notable anisotropy exists that arises from the anisotropy of the effective masses. We also evaluate the imaginary part of the frequency-dependent dielectric function [epsilon(2)(omega)] within the electric-dipole approximation, for both the polarization parallel [epsilon(parallel to)(2)(omega)] and the perpendicular [epsilon 1/2(omega)] to the axial (c) direction. The band structure of the nanowires is calculated, with which the fine structure of epsilon(parallel to)(2)(omega) has been analyzed.

Influences of quantum noises on direct-modulated properties of 1.3-mu m InGaAsP/InP laser diodes

Due to the zero dispersion point at 1.3-mu m in optical fibres, 1.3-mu m InGaAsP/InP laser diodes have become main light sources in fibre communication systems recently. In fluences of quantum noises on direct-modulated properties of single-mode 1.3-mu m InGaAsP/InP laser diodes are investigated in this article. Considering the carrier and photon noises and the cross-correlation between the two noises, the power spectrum of the photon density and the signal-to-noise ratio (SNR) of the direct-modulated single-mode laser system are calculated using the linear approximation method. We find that the stochastic resonance (SR) always appears in the dependence of the SNR on the bias current density, and is strongly affected by the cross-correlation coeffcient between the carrier and photon noises, the frequency of modulation signal, and the photon lifetime in the laser cavity. Hence, it is promising to use the SR mechanism to enhance the SNR of direct-modulated InGaAsP/InP laser diodes and improve the quality of optical fibre communication systems.

Optical properties and g factors of GaAs quantum rods

The Hamiltonian of the zinc-blende quantum rods in the framework of eight-band effective-mass approximation in the presence of external homogeneous magnetic field is given. The electronic structure, optical properties and electron g factors of GaAs quantum rods are investigated. We found that the electron g factors are very sensitively dependent on the dimensions of the quantum rods. As some of the three dimensions increase, the electron g factors decrease. The more the dimensions increase, the more the electron g factors decrease. The dimensions perpendicular to the direction of the magnetic field affect the electron g factors more than the other dimension. (c) 2006 Elsevier B.V. All rights reserved.

Electron g factors and optical properties of InAs quantum ellipsoids

The electronic structure, electron g factors and optical properties of InAs quantum ellipsoids are investigated, in the framework of the eight-band effective-mass approximation. It is found that the light-hole states come down in comparison with the heavy-hole states when the spheres are elongated, and become the lowest states of the valence band. Circularly polarized emissions under circularly polarized excitations may have opposite polarization factors to the exciting light. For InAs ellipsoids the length, which is smaller than 35 nm, is still in a strongly quantum-confined regime. The electron g factors of InAs spheres decrease with increasing radius, and are nearly 2 when the radius is very small. The quantization of the electron states quenches the orbital angular momentum of the states. Actually, as some of the three dimensions increase, the electron g factors decrease. As more dimensions increase, the g factors decrease more. The dimensions perpendicular to the direction of the magnetic field affect the g factors more than the other dimension. The magnetic field along the z axis of the crystal structure causes linearly polarized emissions in the spheres, which emit unpolarized light in the absence of magnetic field.

Electronic structure and transport properties of quantum rings in a magnetic field

The electronic structure of quantum rings is studied in the framework of the effective-mass theory and the two dimensional hard wall approximation. In cases of both the absence and presence of a magnetic field the electron momenta of confined states and the Coulomb energies of two electrons are given as functions of the angular momentum, inner radius, and magnetic-field strength. By comparing with experiments it is found that the width of the real confinement potential is 14 nm, much smaller than the phenomenal width. The Coulomb energy of two electrons is calculated as 11.1 meV. The quantum waveguide transport properties of Aharonov-Bohm (AB) rings are studied complementarily, and it is found that the correspondence of the positions of resonant peaks in AB rings and the momentum of confined states in closed rings is good for thin rings, representing a type of resonant tunneling.

Electronic, structural, and optical properties of crystalline yttria

The electronic structure of crystalline Y2O3 is investigated by first-principles calculations within the local-density approximation (LDA) of the density-functional theory. Results are presented for the band structure, the total density of states (DOS), the atom-and orbital-resolved partial DOS. effective charges, bond order, and charge-density distributions. Partial covalent character in the Y-O bonding is shown, and the nonequivalency of the two Y sites is demonstrated. The calculated electronic structure is compared with a variety of available experimental data. The total energy of the crystal is calculated as a function of crystal volume. A bulk modulus B of 183 Gpa and a pressure coefficient B' of 4.01 are obtained, which are in good agreement with compression data. An LDA band gap of 4.54 eV at Gamma is obtained which increases with pressure at a rate of dE(g)/dP = 0.012 eV/Gpa at the equilibrium volume. Also investigated are the optical properties of Y2O3 up to a photon energy of 20 eV. The calculated complex dielectric function and electron-energy-loss function are in good agreement with experimental data. A static dielectric constant of epsilon(O)= 3.20 is obtained. It is also found that the bottom of the conduction band consists of a single band, and direct optical transition at Gamma between the top of the valence band and the bottom of the conduction band may be symmetry forbidden.

Short range scattering mechanism of type-II GaSb/GaAs quantum dots on the transport properties of two-dimensional electron gas

We have studied the scattering process of AlGaAs/GaAs two-dimensional electron gas with the nearby embedded GaSb/GaAs type-II quantum dots (QDs) at low temperature. Quantum Hall effect and Shubnikov-de Haas oscillation were performed to measure the electron density n(2D), the transport lifetime tau(t) and the quantum lifetime tau(q) under various biased gate voltage. By comparing measured results of QDs sample with that of reference sample without embedded QDs, mobilities (transport mobility mu(t) and quantum mobility mu(q)) dominated by GaSb QDs scattering were extracted as functions of n(2D). It was found that the ratios of tau(t) to tau(q) were varying within the range of 1-4, implying the scattering mechanism belonging to the sort of short-range interaction. In the framework of Born approximation, a scattering model considering rectangular-shaped potential with constant barrier height was successfully applied to explain the transport experimental data. In addition, an oscillating ratio of tau(t)/tau(q) with the increasing n(2D) was predicted in the model.

Effect of Si-Ge interdiffusion on the waveguide properties of SiGe-Si MQW photodetector

Because of Si-Ge interdiffusion in the Si-SiGe interface during the growth process, the square-wave refractive index distribution of a SiGe-Si multiple-quantum-web (MQW) will become smooth. In order to simulate the actual refractive index profile, a staircase approximation is applied. Based on this approach, the dispersion equation of the MQW waveguide is obtained by using a transfer matrix method, The effects of index changes caused by the interdiffusion on the optical field and the characteristics of the photodetector are evaluated by solving the dispersion equation, It is shown that the Si-Ge interdiffusion can result in a reduction of the effective absorption coefficient and the quantum efficiency.