Quantum Confinement Effects and Electronic Properties of SnO2 Quantum Wires and Dots

On the basis of the density functional theory (DFT) within local density approximations (LDA) approach, we calculate the band gaps for different size SnO2 quantum wire (QWs) and quantum dots (QDs). A model is proposed to passivate the surface atoms of SnO2 QWs and QDs. We find that the band gap increases between QWs and bulk evolve as Delta E-g(wire) = 1.74/d(1.20) as the effective diameter d decreases, while being Delta E-g(dot) = 2.84/d(1.26) for the QDs. Though the similar to d(1.2) scale is significantly different from similar to d(2) of the effective mass result, the ratio of band gap increases between SnO2 QWs and QDs is 0.609, very close to the effective mass prediction. We also confirm, although the LDS calculations underestimate the band gap, that they give the trend of band gap shift as much as that obtained by the hybrid functional (PBE0) with a rational mixing of 25% Fock exchange and 75% of the conventional Perdew-Burke-Ernzerhof (PBE) exchange functional for the SnO2 QWs and QDs. The relative deviation of the LDA calculated band gap difference Lambda E-g compared with the corresponding PBE0 results is only within 5%. Additionally, it is found the states of valence band maximum (VBM) and conduction band minimum (CBM) of SnO2 QWs or QDs have a mostly p- and s-like envelope function symmetry, respectively, from both LDA and PBE0 calculations.

Thermodynamic properties of Cu-3(CO3)(2)(OH)(2) and the spin-1/2 distorted diamond Heisenberg chain

The thermodynamic properties of the spin-1/2 diamond quantum Heisenberg chain model have been investigated by means of the transfer matrix renormalization group (TMRG) method. Considering different crystal structures, by changing the interactions among different spins and the external magnetic fields, we first investigate the magnetic susceptibility, magnetization, and specific heat of the distorted diamond chain as a model of ferrimagnetic spin systems. The susceptibility and the specific heat show different features for different ferromagnetic (F) and antiferromagnetic (AF) interactions and different magnetic fields. A 1/3 magnetization plateau is observed at low temperature in a magnetization curve. Then, we discuss the theoretical mechanism of the double-peak structure of the magnetic susceptibility and the three-peak structure of the specific heat of the compound Cu-3(CO3)(2)(OH)(2), on which an elegant measurement was performed by Kikuchi [Phys. Rev. Lett. 94, 227201 (2005)]. Our computed results are consistent with the main characteristics of the experimental data. Meanwhile, we find that the double-peak structure of susceptibility can be found in several different kinds of spin interactions in the diamond chain. Moreover, a three-peak behavior is observed in the TMRG results of magnetic susceptibility. In addition, we perform calculations relevant for some experiments and explain the characteristics of these materials. (c) 2007 American Institute of Physics.

Electronic structure of coupled vertically stacked self-assembled InAs quantum disks in a vertical electric field

In the framework of the effective-mass and adiabatic approximations, by setting the effective-mass of electron in the quantum disks (QDs) different from that in the potential barrier material, we make some improvements in the calculation of the electronic energy levels of vertically stacked self-assembled InAs QD. Comparing with the results when an empirical value was adopted as the effective-mass of electron of the system, we can see that the higher levels become heightened. Furthermore, the Stark shifts of the system of different methods are compared. The Stark shifts of holes are also studied. The vertical electric field changes the splitting between the symmetric level and the antisymmetric one for the same angular momentum. (C) 2003 Elsevier Ltd. All rights reserved.

High-accuracy same-beam VLBI observations using Shanghai and Urumqi telescopes

The same-beam VLBI observations of Rstar and Vstar, which were two small satellites of Japanese lunar mission, SELENE, were successfully performed by using Shanghai and Urumqi 25-m telescopes. When the separation angle between Rstar and Vstar was less than 0.1 deg, the differential phase delay of the X-band signals between Rstar and Vstar on Shanghai-Urumqi baseline was obtained with a very small error of 0.15 mm rms, which was reduced by 1-2 order compared with the former VLBI results. When the separation angle was less than 0.56 deg, the differential phase delay of the S-band signals was also obtained with a very small error of several mm rms. The orbit determination for Rstar and Vstar was performed, and the accuracy was improved to a level of several meters by using VLBI and Doppler data. The high-accuracy same-beam differential VLBI technique is very useful in orbit determination for a spacecraft, and will be used in orbit determination for Mars missions of China Yinghuo-1 and Russia Phobos-grunt.

BAND-STRUCTURE OF MG1-XZNXSYSE1-Y

The empirical pseudopotential method within the virtual crystal approximation is used to calculate the band structure of Mg1-xZnySySe1-y, which has recently been proved to be a potential semiconductor material for optoelectronic device applications in the blue spectral region. It is shown that MgZnSSe can be a direct or an indirect semiconductor depending on the alloy composition. Electron and hole effective masses are calculated for different compositions. Polynomial approximations are obtained for both the energy gap and the effective mass as functions of alloy composition at the GAMMA valley. This information will be useful for the future design of blue wavelength optoelectronic devices as well as for assessment of their properties.

On the nonlinear integral transform of an ocean wave spectrum into an along-track interferometric synthetic aperture radar image spectrum

We present a new nonlinear integral transform relating the ocean wave spectrum to the along-track interferometric synthetic aperture radar (AT-INSAR) image spectrum. The AT-INSAR, which is a synthetic aperture radar (SAR) employing two antennas displaced along the platform's flight direction, is considered to be a better instrument for imaging ocean waves than the SAR. This is because the AT-INSAR yields the phase spectrum and not only the amplitude spectrum as with the conventional SAR. While the SAR and AT-INSAR amplitude spectra depend strongly on the modulation of the normalized radar cross section (NRCS) by the long ocean waves, which is poorly known, the phase spectrum depends only weakly on this modulation. By measuring the phase difference between the signals received by both antennas, AT-INSAR measures the radial component of the orbital velocity associated with the ocean waves, which is related to the ocean wave height field by a well-known transfer function. The nonlinear integral transform derived in this paper differs from the one previously derived by Bao et al. [1999] by an additional term containing the derivative of the radial component of the orbital velocity associated with the long ocean waves. By carrying out numerical simulations, we show that, in general, this additional term cannot be neglected. Furthermore, we present two new quasi-linear approximations to the nonlinear integral transform relating the ocean wave spectrum to the AT-INSAR phase spectrum.

Rossby waves with linear topography in barotropic fluids

Rossby waves are the most important waves in the atmosphere and ocean, and are parts of a large-scale system in fluid. The theory and observation show that, they satisfy quasi-geostrophic and quasi-static equilibrium approximations. In this paper, solitary Rossby waves induced by linear topography in barotropic fluids with a shear flow are studied. In order to simplify the problem, the topography is taken as a linear function of latitude variable y, then employing a weakly nonlinear method and a perturbation method, a KdV (Korteweg-de Vries) equation describing evolution of the amplitude of solitary Rossby waves induced by linear topography is derived. The results show that the variation of linear topography can induce the solitary Rossby waves in barotropic fluids with a shear flow, and extend the classical geophysical theory of fluid dynamics.

单程波算子空间-波数域可分近似方法研究

In the petroleum exploration industry, it is very important to simulate the evolvement of wave field beneath our earth in the aspects of time and space quickly and effectively. Because of the huge data size in petroleum exploration and also the strict requirement of time limit in the actual process of production, simplification of models and approximation of algorithm are necessary. At the same time, every fine improvement to algorithm has its great practical significance and use value. Based on the reasons above, this dissertation researches the separable approximation methods of space-wave number domain for One-way Wave Operator and gets the conclusions as follow: 1. It is insufficient to value One-way Wave Operator purely from the mathematical modulus and phase error, while, holding some specific structural character of operator should be more important. Because, the evaluation criterion of One-way Wave Operator’s imaging ability is quite complicate and obscured, which is similar to the evaluation of an artwork. 2. We can not search for a best or most effective One-way Wave Operator approximation solution for all. However, to different speed model and precision requirement the best approximation solution does exist which is maybe also a compromise, because it is very beneficial to One-way Wave Operator to take full advantage of speed model’s pre-tested information.

复杂介质边界元法数值模拟研究

A major impetus to study the rough surface and complex structure in near surface model is because accuracy of seismic observation and geophysical prospecting can be improved. Wave theory study about fluid-satuated porous media has important significance for some scientific problems, such as explore underground resources, study of earth's internal structure, and structure response of multi-phase porous soil under dynamic and seismic effect. Seismic wave numerical modeling is one of the effective methods which understand seismic propagation rules in complex media. As a numerical simulation method, boundary element methods had been widely used in seismic wave field study. This paper mainly studies randomly rough surface scattering which used some approximation solutions based on boundary element method. In addition, I developed a boundary element solution for fluid saturated porous media. In this paper, we used boundary element methods which based on integral expression of wave equation to study the free rough surface scattering effects of Kirchhoff approximation method, Perturbation approximation method, Rytov approximation method and Born series approximation method. Gaussian spectrum model of randomly rough surfaces was chosen as the benchmark model. The approximation methods result were compared with exact results which obtained by boundary element methods, we study that the above approximation methods were applicable how rough surfaces and it is founded that this depends on and ( here is the wavenumber of the incident field, is the RMS height and is the surface correlation length ). In general, Kirchhoff approximation which ignores multiple scatterings between any two surface points has been considered valid for the large-scale roughness components. Perturbation theory based on Taylor series expansion is valid for the small-scale roughness components, as and are .Tests with the Gaussian topographies show that the Rytov approximation methods improves the Kirchhoff approximation in both amplitude and phase but at the cost of an extra treatment of transformation for the wave fields. The realistic methods for the multiscale surfaces come with the Born series approximation and the second-order Born series approximation might be sufficient to guarantee the accuracy of randomly rough surfaces. It could be an appropriate choice that a complex rough surface can be divided into large-, medium-, and small-scale roughness components with their scattering features be studied by the Kirchhoff or Rytov phase approximations, the Born series approximation, and the perturbation theory, respectively. For this purpose, it is important to select appropriate parameters that separate these different scale roughness components to guarantee the divided surfaces satisfy the physical assumptions of the used approximations, respectively. In addition, in this paper, the boundary element methods are used for solving the porous elastic wave propagation and carry out the numerical simulation. Based on the fluid-saturated porous model, this paper analyses and presents the dynamic equation of elastic wave propagation and boundary integral equation formulation of fluid saturated porous media in frequency domain. The fundamental solutions of the elastic wave equations are obtained according to the similarity between thermoelasticity and poroelasticity. At last, the numerical simulation of the elastic wave propagation in the two-phase isotropic media is carried out by using the boundary element method. The results show that a slow quasi P-wave can be seen in both solid and fluid wave-field synthetic seismograms. The boundary element method is effective and feasible.