Mechanical and chemical bonding properties of ground state BeH2

The crystal structure, mechanical properties and electronic structure of ground state BeH2 are calculated employing the first-principles methods based on the density functional theory. Our calculated structural parameters at equilibrium volume are well consistent with experimental results. Elastic constants, which well obey the mechanical stability criteria, are firstly theoretically acquired. The bulk modulus B, Shear modulus G, Young's modulus E, and Poisson's ratio upsilon are deduced from the elastic constants. The bonding nature in BeH2 is fully interpreted by combining characteristics in band structure, density of states, and charge distribution. The ionicity in the Be-H bond is mainly featured by charge transfer from Be 2s to H 1s atomic orbitals while its covalency is dominated by the hybridization of H 1s and Be 2p states. The Bader analysis of BeH2 and MgH2 are performed to describe the ionic/covalent character quantitatively and we find that about 1.61 (1.6) electrons transfer from each Be (Mg) atom to H atoms.

Analysis of modes in a freestanding microsquare resonator by 3-D finite-difference time-domain

Modes in a microsquare resonator slab with strong vertical waveguide consisting of air/semiconductor/air are analyzed by three-dimensional (3-D) finite-difference time-domain simulation, and compared with that of two-dimensional (2-D) simulation under effective index approximation. Mode frequencies and field distributions inside the resonator obtained by the 3-D simulation are in good agreement with those of the 2-D approximation. However, field distributions at the boundary of the resonator obtained by 3-D simulation are different from that of the 2-D simulation, especially the vertical field distribution near the boundary is great different from that of the slab waveguide, which is used in the effective index approximation. Furthermore the quality factors obtained by 3-D simulation are much larger. than that by 2-D simulation for the square resonator slab with the strong vertical waveguide.

Energy of a polaron in a wurtzite nitride finite parabolic quantum well

The effects of electron-phonon interaction oil energy levels of a. polaron in a wurtzite nitride finite parabolic quantum well (PQW) are studied by using a modified Lee-Low-Pines variational method. The ground state, first excited state, and transition energy of the polaron in the GaN/Al0.3Ga0.7N wurtzite PQW are calculated by taking account of the influence of confined LO(TO)-like phonon modes and the half-space LO(TO)-like phonon modes and considering the anisotropy of all kinds of phonon modes. The numerical results are given and discussed. The results show that the electron phonon interaction strongly affects the energy levels of the polaron, and the contributions from phonons to the energy of a polaron hi a wurtzite nitride PQW are greater than that in all AlGaAs PQW. This indicates that the electron-phonon interaction in a wurtzite nitride PQW is not negligible.

Finite element analysis of stress and strain distributions in InAs/GaAs quantum dots

In this paper, we perform systematic calculations of the stress and strain distributions in InAs/GaAs truncated pyramidal quantum dots (QDs) with different wetting layer (WL) thickness, using the finite element method (FEM). The stresses and strains are concentrated at the boundaries of the WL and QDs, are reduced gradually from the boundaries to the interior, and tend to a uniform state for the positions away from the boundaries. The maximal strain energy density occurs at the vicinity of the interface between the WL and the substrate. The stresses, strains and released strain energy are reduced gradually with increasing WL thickness. The above results show that a critical WL thickness may exist, and the stress and strain distributions can make the growth of QDs a growth of strained three-dimensional island when the WL thickness is above the critical value, and FEM can be applied to investigate such nanosystems, QDs, and the relevant results are supported by the experiments.

Comparative study for colloidal quantum dot conduction band state calculations

By comparing the results of some well-controlled calculation methods, we analyze the relative importance of bulk band structure, multi-bulk-band coupling, and boundary conditions in determining colloidal quantum dot conduction band eigenenergies. We find that while the bulk band structure and correct boundary conditions are important, the effects of multi-bulk-band coupling are small.

New finite-difference scheme for simulations of step-index waveguides with tilt interfaces

A new finite-difference scheme is presented for the second derivative of a semivectorial field in a step-index optical waveguide with tilt interfaces. The present scheme provides an accurate description of the tilt interface of the nonrectangular structure. Comparison with previously presented formulas shows the effectiveness of the present scheme.

Experimental investigation of slow light phenomenon in photonic crystal waveguide line defect laser

The guide mode whose frequency locates in the band edge in photonic crystal single line defect waveguide has very low group velocity. So the confinement and gain of electromagnetic field in the band edge are strongly enhanced. Photonic crystal waveguide laser is fabricated and the slow light phenomenon is investigated. The laser is pumped by pulsed pumping light at 980nm whose duty ratio is 0.05%. The active layer in photonic crystal slab is InGaAsP multiple quantum well. Light is transimited by a photonic crystal chirp waveguide in one facet of the laser. Then the output light is coupled to a fiber and the character of laser is analysis by an optical spectrometer. It is found that single mode and multimode happens with different power of pumping light. Meanwhile the plane wave expansion and finite-difference time-domain methods are used to simulate the phenomenon of slow light. And the result of the experiment is compared with the theory which proves the slow light results in lasing oscillation.

Fabrication and characterization of two-dimensional photonic crystal on silicon by efficient methods

Two-dimensional photonic crystals working in near infrared region are fabricated into silicon-on-insulator wafer by 248-nm deep UV lithography. We present an efficient way to measure the photonic crystal waveguide's light transmission spectra at given polarization states.

Analysis of Si/GaAs Bonding Stresses with the Finite Element Method

In conjunction with ANSYS, we use the finite element method to analyze the bonding stresses of Si/GaAs. We also apply a numerical model to investigate a contour map and the distribution of normal stress,shearing stress,and peeling stress,taking into full consideration the thermal expansion coefficient as a function of temperature. Novel bonding structures are proposed for reducing the effect of thermal stress as compared with conventional structures. Calculations show the validity of this new structure.

U-transformation-finite element method in 3-dimensional analysis of orthotropic laminates

For an orthotropic laminate, an equivalent system with doubly cyclic periodicity is introduced. Then a 3-dimensional finite element model for the equivalent system is transformed into the unitary space, where the large finite element matrix equation is decoupled into some small matrix equations. Such a decoupling very efficiently reduces the computational effort. For an orthotropic laminate with four clamped edges, no exact elasticity solution is available, and the deflection values predicted by different methods have a considerable difference each other for a small length-to-thickness ratio. The present predictions are the largest because the present method is a full 3-dimensional finite element analysis without superfluous constraints. Illustrative numerical examples are presented to observe the distributions of stresses through the thickness of the laminates. (C) 2010 Elsevier Ltd. All rights reserved.

A multi-moment finite volume formulation for shallow water equations on unstructured mesh

A novel and accurate finite volume method has been presented to solve the shallow water equations on unstructured grid in plane geometry. In addition to the volume integrated average (VIA moment) for each mesh cell, the point values (PV moment) defined on cell boundary are also treated as the model variables. The volume integrated average is updated via a finite volume formulation, and thus is numerically conserved, while the point value is computed by a point-wise Riemann solver. The cell-wise local interpolation reconstruction is built based on both the VIA and the PV moments, which results in a scheme of almost third order accuracy. Efforts have also been made to formulate the source term of the bottom topography in a way to balance the numerical flux function to satisfy the so-called C-property. The proposed numerical model is validated by numerical tests in comparison with other methods reported in the literature. (C) 2010 Elsevier Inc. All rights reserved.

Gound State Properties of Nuclei in (295)118 alpha-Decay Chain

The properties of nuclei belonging to the alpha-decay chain of superheavy element (295)118 have been studied in the framework of axially deformed relativistic mean field (RMF) theory with the parameter set of NL-Z2 in the blocked BCS approximation. Some ground state properties such as binding energies, deformations, and alpha-decay energies Q(alpha) have been obtained and agree well with those from finite-range droplet model (FRDM). The single-particle spectra of nuclei in (295)118 alpha-decay chain show that the shell gaps present obviously nucleon number dependence. The root-mean-square (rms) radii of proton, neutron and matter distributions change slowly from (283)112 to (295)118 but dramatically from (279)110 to (283)112, which may be due to the subshell closure at Z = 110 in (279)110. The alpha-decay half-lives in (295)118 decay chain are evaluated by employing the cluster model and the generalized liquid drop model (GLDM), and the overall agreement is found when they are compared with the known experimental data. The alpha-decay lifetimes obtained from the cluster model are slightly larger than those of GLDM ones. Finally, we predict the alpha-decay half-lives of Z = 118, 116, 114, 112 isotopes using the cluster model and GLDM, which also indicate these two models can corroborate each other in studies on superheavy nuclei. The results from GLDM are always lower than those obtained from the cluster model.

Symmetry energy and isovector giant dipole resonance in finite nuclei

We study the relationship between the properties of the isovector giant dipole resonance of finite nuclei and the symmetry energy in the framework of the relativistic mean field theory with six different parameter sets of nonlinear effective Lagrangian. A strong linear correlation of excited energies of the dipole resonance in finite nuclei and symmetry energy at and below the saturation density is found. This linear correlation leads to the symmetry energy at the saturation density at the interval 33.0MeV <= S(po) <= 37.0 MeV. The comparison to the present experimental data in the soft dipole mode of (132) Sn constrains approximately the symmetry energy at p = 0.1 fm(-3) at the interval 21.2MeV similar to 22.5 MeV. It is proposed that a precise measurement of the soft dipole mode in neutron rich nuclei could set up an important constraint on the equation of state for asymmetric nuclear matter.

A high charge state all-permanent magnet ECR ion source for the IMP 320 kV HV platform

A 320 kV high voltage (HV) platform has been constructed at Institute of Modern Physics (IMP) to satisfy the increasing requirements of experimental studies in some heavy ion associated directions. A high charge state all-permanent magnet ECRIS-LAPECR2 has been designed and fabricated to provide intense multiple charge state ion beams (such as 1000 e mu A O6+, 16.7 e mu A Ar14+, 24 e mu A Xe27+, etc.) for the HV platform. LAPECR2 has a dimension of 0 650 mm x 560 mm. The powerful 3D magnetic confinement to the ECR plasma and the optimum designed magnetic field for the operation at 14.5 GHz makes it possible to obtain very good performances from this source. After a brief introduction of the ECRIS and accelerator development at IMP, the conceptual design of LAPECR2 source is presented. The first test results of this all-permanent magnet ECRIS are given in this paper.