Density functional calculation of stopping power of an electron gas for slow ions

We describe the first calculation of the stopping power of an electron gas for slow ions using the density-functional formalism. We evaluate the nonlinear self-consistent potential around the ion and from scattering theory determine the energy loss directly. Comparison with the results of linear theory is made.     

Temperature Effects on the Beat Heating of a Collisional Magnetoplasma

The beat heating of a magneto-plasma by two antiparallel electromagnetic waves at different temperatures is examined. The effects of plasma temperature, plasma electron collisions, plasma ion collisions and magnitude and direction of the magnetic field on the excitation of plasma electron waves and plasma ion waves are studied. A formula for the power absorption density of the plasma by using Maxwell's equations in conjuction with continuity and momentum equation. including collisions and pressure tensor terms, is derived. The contribution of the plasma temperature to the power absorption density, both at low and high beat frequencies, of the collisional and the non-collisional magnetised plasmas is found very significant and is illustrated numerically. The inclusion of pressure tensor term in the momentum equation is also found to cause characteristic changes in the power absorption density of the plasma with the orientation of magnetic field.     

Phonon-assisted optical absorption in silicon from first principles

The phonon-assisted interband optical absorption spectrum of silicon is calculated at the quasiparticle level entirely from first principles. We make use of the Wannier interpolation formalism to determine the quasiparticle energies, as well as the optical transition and electron-phonon coupling matrix elements, on fine grids in the Brillouin zone. The calculated spectrum near the onset of indirect absorption is in very good agreement with experimental measurements for a range of temperatures. Moreover, our method can accurately determine the optical absorption spectrum of silicon in the visible range, an important process for optoelectronic and photovoltaic applications that cannot be addressed with simple models. The computational formalism is quite general and can be used to understand the phonon-assisted absorption processes in general.     

The channeled stopping powers of Boron ions and range calculations in Si

An analytical fitting expression is obtained for the channeled stopping power of B ions in crystalline silicon. Ions incident in the Si 〈100〉 direction at energies from 50 keV/amu to 900 keV/amu are considered. The mean projected ranges of ions have been determined within the framework of the transport theory formalism where the fitting relation obtained for the stopping power was used. For this purpose, a first order ordinary differential equation including second order stopping coefficients is solved numerically by usingFehlberg fourth-fifth order Runge-Kutta method. By using the results for the channeled ion ranges, a transformation relation is proposed for the conversion of channeled/random ion ranges for the ion target system under consideration. The obtained results are compared with widely used standard programs such as Crystal-TRIM, SRIM and PRAL and our program applied to crystalline targets is in good agreement with Crystal-TRIM.     

高频感应等离子体流动模型与微型电推进器流场特性分析

微型射频离子推力器具有结构简单、 工作寿命长、 推力动态范围大、 性能调节响应灵敏等特点,是国际微电推进领域的研究热点之一.射频离子推力器电离室内的感性耦合放电等离子体特性和推力器的性能密切相关.为此,文章建立了低气压、小尺寸微型射频离子推力器电离室内感性耦合等离子体流体模型,开展了电磁场、流场、化学反应浓度场的多物理...     

Influence of optical confinement and excitonic absorption on strong coupling in a bulk GaN microcavity grown on silicon

We report the optical study of a lambda-thick GaN microcavity grown by molecular beam epitaxy on a silicon substrate. Angle-resolved reflectivity measurements evidence the strong coupling regime at room temperature on the half cavity (without the top mirror), but at low temperature, the high excitonic absorption quenches the optical cavity mode at the excitonic energies. On the whole microcavity, the improved quality factor leads to the observation of the polariton emission whatever the temperature. No bottleneck is observed at 70 K even at low pumping power and large negative detuning. The impact of the optical confinement and the excitonic absorption, studied through reflectivity measurements are accurately reproduced by the transfer-matrix formalism. The optimization of the design in this structure leads to a large Rabi splitting (52 meV) at room temperature.     

Scanning LLL x-ray interferometry

A new formalism is presented for the theory of scanning LLL x-ray interferometry, which takes account also of the amount of x-ray absorption and of crystal yawing. It is based on the Takagi approach to the dynamical theory of x-ray diffraction and uses, to a great extent, the formalism of quantum mechanics, in order to reduce the algebraic complexity of the Ewald-von Laue approach. The formalism presented here is an easy-to-handle tool for the study of x-ray propagation in multicrystal systems and for the investigation into deviations of the travelling-fringe period from the spacing of diffracting planes, as it explains how interference features change when moving in paramater space.     

Experimental and theoretical determination of the stopping power of ZrO<Subscript>2</Subscript> films for protons and <Emphasis Type="Italic">α</Emphasis>-particles

We report the results of an experimental-theoretical study on the stopping power of ZrO₂ films for swift H and He ion beams. The experiments, using the Rutherford Backscattering technique, were done for protons with incident energies in the range 200–1500 keV and for α-particle beams with energies in the range 160–3000 keV. The theoretical calculations were done in the framework of the dielectric formalism using the MELF-GOS model to account for the ZrO₂ target electronic response. It is shown that for both ion beams, the agreement between theory and experiment is quite remarkable.     

A formalism for extracting diffusion coefficients from concentration profiles

A formalism is presented for extracting diffusion coefficients from concentration profiles measured by analytical techniques such as Auger electron spectroscopy, secondary ion mass spectrometry, low energy and high energy ion scattering. The formalism is based on the measurement of the concentration profile or gradient (dC/dx) at the interface before and after diffusion, and corrects for extraneous effects in the profile due to sputtering artifacts, initial diffusion, and interface and surface roughness. The formalism is shown to be quite insensitive to surface depletion caused by preferential sputtering. The process of correction involves a deconvolution which is valid for all compositions if the above effects can be represented by complementary error functions, as judged by the linearity on a “probability” plot of C versus x where C is concentration and x is distance in angstroms. The formalism is expressed in the form of a nomograph for the routine determination of diffusion coefficients from measured profiles. Examples of its use are given for profiles measured on the Ti-Pd, Ti-Au, Pd-Au, and Cu-Au thin film systems.     

Shape resonances of oriented molecules: ab initio theory and experiment on hydrocarbon molecules

We report ab initio calculations of the x-ray absorption cross section for the near edge x-ray absorption fine structure of C2H6, and C2H4, and C2H2 at the C K-edge, based on a full multiple scattering formalism. The angular dependence of the electric dipole transition in the calculations as well as the angular dependent experiments for the oriented molecules give a good opportunity to compare both. The resonance can be assigned to a sigma(*) shape resonance. The multiple scattering formalism and the experiment agree well and thereby support the existence of such features in the spectra.     

Photon Green’s functions for a consistent theory of absorption and emission in nanostructure-based solar cell devices

The light-matter interaction in planar nanostructures with applications in photovoltaic devices is investigated by means of a microscopic quantum-kinetic theory based on the non-equilibrium Green’s function formalism. The Dyson and Keldysh equations for the Green’s functions of photons are solved numerically. The result is used to couple the optical and electronic degrees of freedom via respective self-energies. The numerical approach for the solution of the optical problem is verified against a standard transfer-matrix formalism and applied to the computation of absorption and emission characteristics in ultra-thin-absorber solar cells.     

Testing the mechanism of QGP-Induced energy loss

We present an analytic model of jet quenching, based on the (D)GLV energy loss formalism, to describe the system size dependence of QGP-induced parton absorption in relativistic heavy ion collisions. Numerical simulations of the transverse momentum dependence of jet quenching are given for central Au+Au and Cu+Cu reactions. Low p _Tdijet correlations are shown to be sensitive to the reappearance of the lost energy as soft hadrons. At high p _Twe find that the attenuation of dihadrons is similar to that of single inclusive particles. Comparison to recent data from PHENIX and STAR is given as a test of the jet quenching theory.     

Comparative studies of microwave absorption in the singlet paramagnets HoVO<Subscript>4</Subscript> and HoBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> in strong pulsed magnetic fields

Microwave absorption in the tetragonal singlet paramagnets HoVO₄ (zircon structure) and HoBa₂Cu₃O _x (x ≈ 6, layered perovskite structure) is studied and compared in pulsed magnetic fields up to 40 T at low temperatures. These paramagnets are characterized by a singlet-doublet scheme of the low-lying levels of the Ho³⁺ ion in a crystal field. In a magnetic field directed along the tetragonal axis, HoVO₄ exhibits resonance absorption lines at wavelengths of 871, 406, and 305 μm, which correspond to electron transitions between the low-lying levels of the Ho³⁺ ion in the crystal field. The positions and intensities of these absorption lines in HoVO₄ are well described in terms of the crystal-field formalism with the well-known interaction parameters. The absorption spectra of HoBa₂Cu₃O _x at a wavelength of 871 μm exhibit broad resonance absorption lines against the background of strong nonresonance absorption. The effects of low-symmetry (orthorhombic, monoclinic) crystal-field components, the deviation of a magnetic field from a symmetry axis, and various pair interactions on the absorption spectra of the HoVO₄ and HoBa₂Cu₃O _x crystals are discussed. Original Russian Text ? Z.A. Kazeĭ, V.V. Snegirev, M. Goaran, L.P. Kozeeva, M.Yu. Kameneva, 2008, published in Zhurnal éksperimental’noĭ i Teoreticheskoĭ Fiziki, 2008, Vol. 133, No. 3, pp. 632–645.     

用快波加热燃烧等离子体

在把离子伯恩斯坦波处理成对快阿尔芬波的响应下，导出了点火托卡马克等离子体的离子回旋共振加热的二阶模转换方程。这个二阶方程的数值积分表明，结果与由高阶方程的计算很好地一致。只有在弱阻尼的情况下，α粒子吸收的功率才是重要的。     

Nonlinearity and time-resolved studies of ion emission in ultrafast laser ablation of graphite

We have investigated the laser fluence dependence of the ion emission process in ultrafast laser ablation of graphite using a time-of-flight technique. Two regimes of ion emission have been identified: (1) a highly nonlinear laser absorption process accompanied by generation of a transient electrical field on the surface and collisionless emission of ions due to electrostatic repulsion; (2) a saturation regime for laser power absorption characterised by nearly equal kinetic energy of ejected carbon clusters. We also show the effect of the surface temperature on the emitted clusters’ stability and the influence of nonlinearity on the intensity autocorrelation traces.     

Morse势阱中子带间的光吸收

研究了Morse势阱中子带间的光吸收,并且利用密度矩阵算符理论和迭代方法,推导出了线性和三阶非线性子带间的光吸收系数的解析表达式,然后以GaAs/AlGaAsMorse势阱为例进行数值计算。结果表明,线性吸收系数是正的,为总吸收系数作出积极的作用,而三阶非线性吸收为负,抵消了一部分线性吸收,进而得到总的吸收系数;吸收系数随着入射光强度的增大而减小,即出现吸收饱和现象;当势阱参数a增大时,吸收系数增大,即阱宽较窄时,系统吸收的能量较多。若要获得较大的光学吸收系数,就要输入较小的光场强度,并选择适当的势阱参数a和入射光频率。     

Spectral moments and orientation correlation functions of asymmetric top molecules

A method for calculating the spectral moments of dipole absorption and Raman scattering by asymmetric top molecules is proposed. The method is based on the calculation of coefficients of expansion of the corresponding orientation correlation functions in a Taylor series using the formalism of the angular momentum theory.     

Approaches to the Physical Mechanisms and Theories of Low-Concentration Effects in Aqueous Solutions

The influence of optical, plasma, and mechanical effects on the macroscopic properties of aqueous solutions is discussed. An important role of the nano-objects that are spontaneously formed in a liquid or generated by external perturbation sources in the formation of these properties is stated. It is suggested that the presence of nano-objects in aqueous solutions determines the behavior of most various processes: from the formation of shock waves to the change in the ion composition and regulation of biological activity. Nonmonotonic dependences of the absorption and luminescence efficiency on the concentration of ion impurity centers in crystals are demonstrated. One of the causes of nonmonotonicity is the aggregation of active centers from neighboring lattice cells. Active aggregates are identified based on a thermodynamic calculation, in agreement with the spectral and relaxation experimental data. Particular analytical models of the thermodynamic state of water and aqueous solutions and the kinetics of chemical reactions occurring in them are reviewed. Here, a key point is the consideration of short-lived hydrogen bonds between water and solute molecules The formalism of the theory of dichotomous noise is used to describe these twinkling hydrogen bonds. Its application indicates, in particular, the possibility of forming a low-concentration droplet phase in solutions. A scheme of successive unification of particular models of thermodynamics and kinetics of aqueous solutions, based on an analogy with the theory of luminescence effects in ion impurity centers, is proposed.

     

Statistical theory of a solvated electron in an electrolyte

The behavior of a solvated electron in an electrolyte is investigated. The formalism of the theory is based on variational estimation of path integrals. It reduces the problem to the investigation of the self-consistent mean field produced by the ions and the electron. Mayer cluster expansions make it possible to take account of the short-range interactions and to find expressions for the effective potential of the electron and the electron-ion and electron-neutral atom correlation functions as a function of the macro-and microscopic parameters of electrolytes. In the limit of high ion densities the behavior of the electron is determined solely by the Coulomb interaction, which results in the formation of a polaron state. This state of the electron is virtually independent of the thermodynamic parameters of the electrolyte. In the opposite limit of low ion densities the electron forms a cavity state. The presence of ions results in additional localization of the electron and is manifested experimentally as a shift of the absorption band in the direction of high energies. The estimated shift for a hydrated electron agrees with the experimental data. Zh. éksp. Teor. Fiz. 115, 1463–1477 (April 1999)