Photoionization cross-section and binding energy of donor impurities in GaAs, Ge and Si quantum wires with infinite barriers

Within the effective-mass approximation, we have investigated the binding energies of donor impurities as a function of the wire dimensions and the photoionization cross-section for a hydrogenic donor impurity placed on the center of the quantum well-wire as a function of the normalized photon energy in the GaAs, Ge and Si quantum wires with infinite barriers. The calculations are performed by the variational method based on a two-parametric trial wave function. The results show that the impurity binding energy and the photoionization cross-section depend strongly on both wire dimensions and material parameters.     

甲苯光电离解离理论研究

The photoionization and dissociation photoionization of toluene have been studied using quantum chemistry methods.The geometries and frequencies of the reactants,transition states and products have been performed at B3LYP/6-311++G (d,p) level,and single-point energy calculations for all the stationary points were carried out at DFT calculations of the optimized structures with the G3B3 level.The ionization energies of toluene and the appearance energies for major fragment ions,C₇H₇⁺,C₆H₅⁺,C₅H₆⁺,C₅H₅⁺,are determined to be 8.90,11.15 or 11.03,12.72,13.69,16.28 eV,respectively,which are all in good agreement with published experimental data.With the help of available published experimental data and theoretical results,four dissociative photoionization channels have been proposed:C₇H₇⁺+H,C₆H₅⁺+CH₃,C₅H₆⁺+C₂H₂,C₅H₅⁺+C₂H₂+H.Transition structures and intermediates for those isomerization processes are determined in this work.Especially,the structures of C₅H₆⁺ and C₅H₅⁺ produced by dissociative photoionization of toluene have been defined as chain structure in this work with theoretical calculations.     

Photoionization microscopy

We present the first experimental results of a technique called photoionization microscopy. Photoelectrons ejected in threshold photoionization of Xe are detected in a velocity map imaging apparatus, and interferences between various trajectories by which the electron moves from the atom to the detector are observed. The structure of the interference pattern, which contains the transverse component of the electronic wave function, evolves smoothly with the excess energy above the saddle point. The main observed features are interpreted within the framework of the semiclassical approximation.     

Photoionization and Dissociative Photoionization Study of Cholesterol by IR Laser Desorption/Tunable Synchrotron VUV Photoionization Mass Spectrometr

介绍了一种将红外激光解吸/真空紫外光电离质谱技术应用于分析胆固醇的新方法. 由于近阈值单光子电离作用,可以在低能量下只产生纯净的胆固醇分子离子峰;增加光子能量则可以使碎片离子峰大量出现. 为了验证碎片离子的归属,利用商用高分辨电子轰击电离-飞行时间质谱仪分析并指认了胆固醇主要的碎片峰. 此外,采用量子化学从头算的方法研究了胆固醇母体离子和碎片构型,并讨论了部分主要的光解离机理     

Photoionization cross section and refractive-index change of hydrogenic impurities in a CdS-SiO<Subscript>2</Subscript> spherical quantum dot

In this study, we calculate the photoionization cross section and refractive-index change of an on-center hydrogenic impurity in a CdS-SiO₂ spherical quantum dot. In numerical calculations, both the finite- and infinite-confinement cases are considered and a variational scheme is adopted to determine the energy eigenvalues for the impurity. The variations of the photoionization cross section with the dot radius, the refractive-index change, and the normalized photon energy are investigated, and the effect of the potential-barrier height on the cross section is discussed. The results obtained show that the photoionization cross section and the refractive-index change in CdS-SiO₂ spherical quantum dots are sensitively dependent on the incident optical intensity and on the dot sizes.     

Photoionization of onion-type atoms

The photoionization of a two-shell (“onion“) endohedral A@C_N1@C_N2 is considered. The effect of the fullerenes shells upon photoelectron from atom A is taken into account substituting the action of the fullerene by two zero-thickness “bubble potentials.“ The fullerenes shells polarization is included assuming that the radius of the outer shell R ₂ is much bigger than the inner R ₁ and both much exceed the atomic radius r. The interaction between shells C_N1 and C_N2 is taken into account in the Random Phase Approximation (RPA). The effect of photoelectron scattering by both “bubble potentials“ is included in the RPA frame. As concrete examples, two endohedrals Ar@C₆₀@C₂₄₀ and Xe@C₆₀@C₂₄₀ are considered. We investigate 3p4 Ar and 5p Xe subshells.     

Photoionization of shallow acceptors in Ge

We compute the cross section for the transition, induced by the absorption of light, of acceptor bound holes to states in the split-off valence band in Ge. We find good agreement with the available low temperature optical absorption data.     

Boundary states in graphene heterojunctions

A new type of states in graphene-based planar heterojunctions has been studied in the envelope wave function approximation. The condition for the formation of these states is the intersection between the dispersion curves of graphene and its gap modification. This type of states can also occur in smooth graphene-based heterojunctions.     

多层异质结构中的声学声子输运

在连续弹性近似下，采用转移矩阵方法，研究了由不同含Al浓度的异质结(GaAs/Al_{xiGa1-xiAs)所构成的对称多层异质结构中的声学声子输运性质.结果表明：该结构中的声子透射谱具有与同组分厚度超晶格(GaAs/AlAs )不一样的特征，具体体现在透射曲线振荡幅度与频率等方面；声子透射谱特征与对称异质结构中AlxiGa1-xiAs层的含Al浓度xi(i表示对称轴两边的第i层)的分布有很大的关系，具体表现为：当xi随i的增加而递减时，透射谱线除主波谷外较平滑；而当xi随i的增加而递增时，透射谱振荡明显增大，且主波谷被分裂.声子透射系数还依赖于异质结组分层的厚度，尤其是AlxiGa1-xiAs的厚度.另外，异质结的层数对声子输运也产生一定的影响. 关键词： 输运 声子 异质结}     

Photoionization experiments in dense argon gas

At densities above 50 Amagats, light of frequency 2.818 x 10⁴cm^-1 ionizes efficiently argon gas containing less than 1 part per million of impurities. For a given density we find for the number of free charges produced a square law dependence on light intensity. At constant light intensity the number of free charges produced varies approximately like the sixth power of density in the range 200–500 Amagats.     

Photoionization of Endohedral Atoms in Fullerene Cages

The finite-element discrete variable representation combined with the method of complex coordinate rotation is implemented to investigate the hydrogenic atoms and alkali metals encapsulated by the fullerene cages. The energy levels varying with the confining potential of the fullerene cage exhibit avoided crossings caused by the so-called mirror collapse from the switch of near degenerate states. The effects of fullerene cages on photoionization of confined atoms leading to the oscillation behavior and confinement resonances in photoionization cross sections are demonstrated. The results of cross sections for hydrogen-like lithium ion as a function of the cage radius and shell thickness are presented. The emergence of the Cooper minima due to the influence of the fullerene cages is observed for endohedral lithium and sodium atoms. Comparisons are made to the existing predictions.     

Photocurrent generation in polymer-fullerene bulk heterojunctions

The photocurrent in conjugated polymer-fullerene blends is dominated by the dissociation efficiency of bound electron-hole pairs at the donor-acceptor interface. A model based on Onsager's theory of geminate charge recombination explains the observed field and temperature dependence of the photocurrent in PPV:PCBM blends. At room temperature only 60% of the generated bound electron-hole pairs are dissociated and contribute to the short-circuit current, which is a major loss mechanism in photovoltaic devices based on this material system.     

Schottky barriers in carbon nanotube heterojunctions

Electronic properties of heterojunctions between metallic and semiconducting single-wall carbon nanotubes are investigated. Ineffective screening of the long-range Coulomb interaction in one-dimensional nanotube systems drastically modifies the charge transfer phenomena compared to conventional semiconductor heterostructures. The length of depletion region varies over a wide range sensitively depending on the doping strength. The Schottky barrier gives rise to an asymmetry of the I-V characteristics of heterojunctions, in agreement with recent experimental results by Yao et al. and Fuhrer et al. Dynamic charge buildup near the junction results in a steplike growth of the current at reverse bias.