Curvature Correction of FWHM in the X-Ray Rocking Curve of Bent Heteroepitaxial Films

A method for accurate determination of the curvature radius of semiconductor thin films is proposed. The curvature-induced broadening of the x-ray rocking curve （XRC） of a heteroepitaxially grown layer can be determined if the dependence of the full width at half maximum （FWHM） of XRC is measured as a function of the width of incident x-ray beam. It is found that the curvature radii of two GaN films grown on a sapphire wafer are different when they are grown under similar MOCVD conditions but have different values of layer thickness. At the same time, the dislocation-induced broadening of XRC and thus the dislocation density of the epitaxial film can be well calculated after the curvature correction.     

Structure of a financial cross-correlation matrix under attack

We investigate the structure of a perturbed stock market in terms of correlation matrices. For the purpose of perturbing a stock market, two distinct methods are used, namely local and global perturbation. The former involves replacing a correlation coefficient of the cross-correlation matrix with one calculated from two Gaussian-distributed time series while the latter reconstructs the cross-correlation matrix just after replacing the original return series with Gaussian-distributed time series. Concerning the local case, it is a technical study only and there is no attempt to model reality. The term ‘global’ means the overall effect of the replacement on other untouched returns. Through statistical analyses such as random matrix theory (RMT), network theory, and the correlation coefficient distributions, we show that the global structure of a stock market is vulnerable to perturbation. However, apart from in the analysis of inverse participation ratios (IPRs), the vulnerability becomes dull under a small-scale perturbation. This means that these analysis tools are inappropriate for monitoring the whole stock market due to the low sensitivity of a stock market to a small-scale perturbation. In contrast, when going down to the structure of business sectors, we confirm that correlation-based business sectors are regrouped in terms of IPRs. This result gives a clue about monitoring the effect of hidden intentions, which are revealed via portfolios taken mostly by large investors.     

Vaporization and Plasma Shielding during High Power Nanosecond Laser Ablation of Silicon and Nickel

A thermal model to describe the high-power nanosecond pulsed laser ablation is presented. It involves the vaporization and the following plasma shielding effect on the whole ablation process. As an example of Si target, we obtainthe time evolution of the calculated surface temperature, ablation rate and ablation depth. It can be seen that plasma shielding plays a more important role in the ablation process with time. At the same time, the ablation depth with laser fluence based on different models is shown. Moreover, we simulate the pulsed laser irradiation Ni target. The evolution of the transmitted intensity and the variation of ablation depth per pulse with laser fluence are performed. Under the same experimental conditions, the numerical results calculated with our thermal model are more in agreement with the experimental data.     

Remote preparation of a class of three-qubit states

We propose a remote state preparation (RSP) scheme of a three-particle Greenberger-Horne-Zeilinger (GHZ) class state by using three 2-qubit maximally entangled states as the quantum channel. The success probability of preparation and classical communication cost are calculated. Generally speaking, conditioned on Alice’s classical message, with probability 1/4 Bob can successfully prepare the original state by performing one appropriate unitary operation. However, for four kinds of special states, the success probability of preparation can be increased to 1/2 or even 1 after consuming some extra bits.     

Numerical calculation of energies of some excited states in a helium atom

The energies of some excited states with the total angular momentum L=0, 1 and 2. the total spin of two electrons S=0 and 1, and the even and odd parities are precisely calculated directly from the Schrödinger equation where the mass of the helium nucleus is finite. Moreover, we find that the solutions to the equation for the excited states have some more nodes, which can be used to distinguish the states with the same spectral term.     

Quantum Correlation Coefficients for Angular Coherent States

Quantum covariance and correlation coefficients of angular or SU（2） coherent states are directly calculated for all irreducible unitary representations. These results explicitly verify that the angular coherent states minimize the Robertson-Schrodinger uncertainty relation for all spins, which means that they are the so-called intelligent states. The same results can be obtained by the Schwinger representation approach.     

Topological analysis of charge density in heptasulfur imide (S7NH) from isolated molecule to solid

Intra and intermolecular interactions of heptasulfur imide (S₇NH) are investigated in terms of topological properties analyses, such analyses are applied to both experimental (multipole model) and theoretically calculated (DFT and PDFT calculations) charge densities of the isolated molecule and of the crystal. The same analyses are also applied to a multipole model density obtained from theoretically (PDFT) derived structural amplitudes. The covalent bond character of S-N, N-H and S-S bonds are well described in terms of density, ρ_b, and total energy density, H_b, at the bond critical point r_c, though it is clear that the S-S bonds are weaker shared interactions than those of N-H and S-N bonds. Lone pair electron regions of sulfur and nitrogen atoms are revealed as the local charge concentration site from the Laplacian of charge density. The even weaker intermolecular interactions are well characterized; these include the N-H?S hydrogen bonding, N?S binding interactions and S?S binding interactions. All these intermolecular binding interactions are closed-shell interactions. The Laplacian of charge density demonstrates a directional intermolecular binding interaction. The corresponding intermolecular binding energies are derived by MP2/6-311+G(d,p) calculations. Atomic graph of each atom of the molecule is described in detail by the vertices, edges and faces of the polyhedron around the nucleus to illustrate such directional interactions.     

两个双能级原子与双模腔场的拉曼相互作用

研究了两个双能级原子与双模辐射腔场的拉曼相互作用，计算了两个原子与腔场具有相同耦合常数但同时考虑原子间偶极一偶极相互作用情形下的辐射谱．讨论了双模腔场处于不同数态时辐射谱的新特点．     

Structural and electrical characteristics of zirconium oxide layers derived by photo-assisted sol–gel processing

This paper reports the photo-assisted formation of ZrO₂ layers derived by sol–gel processing at low temperatures using intense radiation from ultraviolet (UV) excimer lamps. Excellent layer properties can be readily obtained for these sol–gel layers after 5-min exposure to the UV irradiation at around 300 °C. Analyses of the as-deposited sol–gel layers by UV/VIS spectrophotometry show that the organic species contained in the layers have been removed to a large extent after 5-min irradiation. This is further confirmed by X-ray photoelectron spectroscopy analyses of the same irradiated layers, which indicate the formation of ZrO₂ with little carbon contamination contributed by the organic species and less oxidation of Si at the interface. Electrical measurements of these layers are also reported. Received: 31 July 2001 / Accepted: 6 September 2001 / Published online: 17 October 2001     

Systematic considerations for the patterning of photonic crystal devices by electron beam lithography

Photonic crystal devices with feature sizes of a few hundred nanometers are often fabricated by electron beam lithography. The proximity effect, stitching error and resist profiles have significant influence on the pattern quality, and therefore determine the optical properties of the devices. In this paper, detailed analyses and simple solutions to these problems are presented. The proximity effect is corrected by the introduction of a compensating dose. The influence of the stitching error is alleviated by replacing the original access waveguides with taper-added waveguides, and the taper parameters are also discussed to get the optimal choice. It is demonstrated experimentally that patterns exposed with different doses have almost the same edge-profiles in the resist for the same development time, and that optimized etching conditions can improve the wall angle of the holes in the substrate remarkably.     

Calculation of partial structure factors of a less-simple binary alloy

The partial static structure factors, using the Faber-Ziman (FZ) theory, have been calculated for Ag-In alloy. For 20% Ag at 623 K and 70% Ag at 973 K, the interionic pair potential based on the Bretonnet-Silbert (BS) formalism are calculated and the hard sphere diameters for the component elements are estimated from the potential profile using the linearised Weeks-Chandler-Andersen (LWCA) method. The average number densities are calculated on the assumption that the atomic volumes are simply additive. The calculated structure factors are compared with the experimental values. The partial structure factors for Ag-Ag at 20% Ag and In-In at 70% Ag appear to be slightly out of phase with the calculated values particularly in large q-region. From the calculations it appears that this discrepancy is related to the process of derivation of the experimental structure factors from the total one, and the Ag-In alloy can be described by a mixture of hard spheres. Received 31 October 2001 and Received in final form 10 January 2002     

Precision Calculations of Atomic Polarizabilities: A Relevant Physical Quantity in Modern Atomic Frequency Standard

Electric dipole polarizabilities of atoms are very important in many different physical applications, such as the precision atomic frequency standard. Calculations of these properties are very important and challenging. We propose a calculation strategy to calculate the frequency dependent dipole polarizabilities with high precision variationally by using a set of high quality orbital bases where the electron correlations can be taken into account adequately. The static polarizabilitiez of the ground state of Na are calculated accurately by such a method and can be compared with precision experiment measurement directly. The calculation result is in excellent agreement with the available experimental measurements within about 0.1~, which demonstrates the validity of our strategy. Our calculation strategy has a wide usage, not only in polarizibilies, but also in other fields such as theoretical treatment of electron-atom scattering processes. Using the same orbital bases, we carry out precision calculation of Na- affinities. Our calculated affinity is in excellent agreement with precision laser spectroscopy measurements within 0. 1%.     

Analysis of force characteristics of a superconducting ball in a given magnetic field

The electromagnetic force characteristics along Z direction of a superconducting ball levitated by spherical coils with shaping blocks are calculated based on a semi-analytical method. The calculating results from the semi-analytical method are compared with the finite element analysis (FEA) method through a calculation example. The method can be applied to further analysis of dynamic characteristics and parameter optimization in the suspension system.     

Negative Magnetoresistivity of ErBi and Its Crystal-Field Levels

A theoretical approach is generalized and employed in this work to evaluate the magnetoresistivity of ErBi in external magnetic fields. The calculated results and theoretical analyses show that when an external magnetic field is applied in the z-direction, the magnetoresistivity can be reduced considerably due to the degeneracy lifting of the crystal-field levels. However, when the magnetic field is exerted along the x-axis, the magnetoresistivity will be increased because of the formations of new magnetic states of the Er ion and its transitions within and between these new states.     

Morphology Dependence of Power Spectra for Different Polarized States from Two-Dimensional Active Random Media

Spectra for two polarized states with competition on the inverted population in a set of two-dimensional （2D） active random media are calculated, and these random media have the same random constitution but different shapes. Results show that the power spectra for the two polarized states are all morphology dependent in the competition. The appropriate design of the shapes has an obvious effect on the selection of TM polarized modes and can improve the adverse situation of the TM polarized state in the competition. Such a property presents a new mode-selecting technique for each polarized mode in random media.     

氢及其同位素分子的电子碰撞解离反应截面研究

在边界等离子体中氢及其同位素分子与电子碰撞可以发生解离反应。对于尚无反应截面的氢及其同位素分子电子碰撞激发到三重态然后发生解离反应,作者基于莫尔斯函数、弗兰克－康登原理,采用半经典的Gryzinski方法计算了这一反应截面。得到了解离反应截面的影响因素、反应截面随电子能量的变化情况以及分子的振动能级对反应截面的影响。通过比较表明到排斥态的激发然后发生解离反应的反应截面占据主导地位,比激发到其它三重态激发然后发生解离的反应截面要大一个量级。     

Electron excitation by a multi passage laser beam in a plasma

The limits put by optical guiding, and channel guiding mechanisms on the Laser Wakefield Acceleration (LWFA) technique are imposed on the Resonant Laser Wakefield Acceleration (RLWFA) scheme. Energy gained by the electrons in both schemes are calculated and compared. It has presented that in the RLWFA case, the electrons gain more and more energy after each traversal of the laser pulse and the electrons in a plasma gain about 3 GeV after 10 passages of the laser pulse. They gain 13 GeV when the laser light makes 50 passages and 26 GeV after the laser beam traverses the plasma 100 times. Moreover, the channel guiding mechanism is integrated to the RLWFA scheme and together with diffraction guiding a model for electron acceleration is proposed. Received 13 September 2000 and Received in final form 27 October 2000     

Chemical bonding and pseudogap formation in D022- and L12-structure (V, Ti)Al3

To obtain a rigorous definition of the chemical bonds in binary transition-metal aluminides, topological analyses were performed for VAl₃ and TiAl₃ in the D0₂₂ and L1₂ structures. The analyses were based on the valence charge densities calculated with the ab initio density functional theory. To better understand the formation mechanism of the pseudogap in these compounds, the band structure, the density of states (DOS) and the band decomposed charge density (BDCD) were calculated. The topological analyses reveal that the interactions between the (V, Ti) and Al atoms are all pure shared-shell interactions, the bonds are covalent and clearly have π-bond character. The study of the band structure, DOS and BDCD shows that the formation of the pseudogap is due to the crystal field energy splitting of the (V, Ti)-3d orbitals combined with the inter-unit-cell orbital interaction.     

Pareto and Boltzmann-Gibbs behaviors in a deterministic multi-agent system

A deterministic system of interacting agents is considered as a model for economic dynamics. The dynamics of the system is described by a coupled map lattice with nearest neighbor interactions. The evolution of each agent results from the competition between two factors: the agent’s own tendency to grow and the environmental influence that moderates this growth. Depending on the values of the parameters that control these factors, the system can display Pareto or Boltzmann-Gibbs statistical behaviors in its asymptotic dynamical regime. The regions where these behaviors appear are calculated on the space of parameters of the system. Other statistical properties, such as the mean wealth, the standard deviation, and the Gini coefficient characterizing the degree of equity in the wealth distribution are also calculated.     

Flat-topped beam output from a double-clad rectangular dielectric waveguide laser with a high-index inner cladding

A novel method to produce a flat-topped laser beam by using a double-clad rectangular waveguide laser with high-index inner cladding is presented. The waveguide dispersion equation for cosine mode was deduced, the condition for the flattened mode was given out, relative gains for guided modes were calculated numerically and analyzed. Results indicate that a gain advantage for the flattened mode is clear, a flat-topped laser beam can be achieved when the optical confinement factor, the gain intensity and the output coupler are chosen suitably.