Tunneling and EPR linewidths due to dislocations in Mn acetate

We compute the width and shape of the EPR and tunneling resonances due to dislocations in Mn₁₂ acetate crystals. Uncorrelated dislocations produce the Gaussian shape of resonances while dislocations bound in pairs produce the Lorentzian shape. We stress that the uniaxial spin Hamiltonian together with crystal defects can explain the totality of experimental data on Mn₁₂. Received 2 August 2001 / Received in final form 15 March 2002 Published online 17 September 2002     

Renormalization of the two-photon vacuum polarization and the self energy vacuum polarization for a tightly bound electron

The renormalization method of Bogoljubov-Parasiuk-Hepp-Zimmermann (BPHZ) is used in order to derive the renormalized energy shift due to the gauge invariant K?llén-Sabry diagram of the two-photon vacuum polarization (VPVP) as well as the self energy vacuum polarization S(VP)E beyond the Uehling approximation. It is outlined, that no outer renormalization is required for the two-photon vacuum polarization and that only the inner renormalization has to be accomplished. It is shown that the so-called nongauge invariant spurious term is absent for a wide class of vacuum polarization (VP) diagrams if one applies the widely used spherical expansion of bound and free-electron propagator. This simplifies significantly calculations in bound state quantum electrodynamics. As one result of our paper the use of the BPHZ-approach in bound state QED is established. Received 28 September 2001     

A detailed analysis of the photoemission spectra of basic thioaromatic monolayers on noble metal substrates

Analysis of photoemission spectra of complex thioaromatic self-assembled monolayers (SAMs) requires the knowledge and understanding of such spectra for the basic systems. Keeping this goal in mind, synchrotron-based high-resolution X-ray photoelectron spectroscopy was used to characterize SAMs formed from the simplest thioaromatic compounds, namely thiophenol, 1,1′-biphenyl-4-thiol and 1,1′;4′,1″-terphenyl-4-thiol on evaporated Au(1 1 1) and Ag(1 1 1) substrates. The acquired S 2p and C 1s spectra were analyzed in terms of fine structure and initial and final state effects in the photoemission process. The assignment of the individual spectral features was considered in detail. Conclusions on quality and chemical and structural homogeneity of the investigated SAMs were derived.     

Dirac constraint analysis and symplectic structure of anti-self-dual Yang-Mills equations

We present the explicit form of the symplectic structure of anti-self-dual Yang-Mills (ASDYM) equations in Yang’s J- and K-gauges in order to establish the bi-Hamiltonian structure of this completely integrable system. Dirac’s theory of constraints is applied to the degenerate Lagrangians that yield the ASDYM equations. The constraints are second class as in the case of all completely integrable systems which stands in sharp contrast to the situation in full Yang-Mills theory. We construct the Dirac brackets and the symplectic 2-forms for both J- and K-gauges. The covariant symplectic structure of ASDYM equations is obtained using the Witten-Zuckerman formalism. We show that the appropriate component of the Witten-Zuckerman closed and conserved 2-form vector density reduces to the symplectic 2-form obtained from Dirac’s theory. Finally, we present the Bäcklund transformation between the J- and K-gauges in order to apply Magri’s theorem to the respective two Hamiltonian structures.     

Semiconvergence in distribution of random closed sets with application to random optimization problems

The paper considers upper semicontinuous behavior in distribution of sequences of random closed sets. Semiconvergence in distribution will be described via convergence in distribution of random variables with values in a suitable topological space. Convergence statements for suitable functions of random sets are proved and the results are employed to derive stability statements for random optimization problems where the objective function and the constraint set are approximated simultaneously. The author is grateful to two anonymous referees for helpful suggestions.     

Growth and characterization of model oxide catalysts

Oxide catalysts are frequently used to convert toxic species to environmentally benign molecules, and to prevent the formation of toxic species in the first place. In this paper, growth and characterization of model oxide systems employed in both approaches is discussed. An example of the former approach is the selective catalytic reduction (SCR) of NO emitted from power plants by NH₃, which employs tungsten and vanadium oxides supported on the anatase polymorph of TiO₂. To model SCR catalysts, epitaxial titanium, vanadium and tungsten oxide films were grown using molecular beam epitaxy and magnetron sputtering. Two different anatase orientations were grown on LaAlO₃ substrates and their interactions with vanadia were characterized. On LaAlO₃ (0 0 1), anatase exposed a (4 × 1) reconstructed (0 0 1) surface. Vanadia lifted the reconstruction and at 1 ML a (1 × 1) surface with mostly V⁵⁺ was observed. Continued V₂O₅ growth led to loss of order, but at high temperatures epitaxial VO₂ could be grown; vanadia behaved similarly on anatase films on LaAlO₃ (1 1 0). Results suggested that the monolayer is pseudomorphic with O adsorption oxidizing the surface V to 5+, since the anatase structure cannot accommodate more bulk oxygen, only a monolayer can be pseudomorphic and have only V⁵⁺. Thus the vanadia monolayer has unique structural and chemical properties that can help explain why vanadia monolayers on TiO₂ are much more active than bulk V₂O₅. For WO₃, a series of added row reconstructions were observed as the epitaxial films were reduced. The effect of these structures on surface chemistry was characterized by studying 1-propanol adsorption. The results indicated that the structure of the WO₃ surface did not alter its catalytic function but had a strong effect on reaction kinetics. As an example of a system where catalysts prevent the formation of toxic species, the reactivity of oxidized Pd surfaces used in CH₄ catalytic combustion were studied. An ordered PdO-like monolayer was found to be less reactive towards CO than adsorbed O on Pd. On the other hand, the PdO layer favored a lower activation energy C₃H₆ oxidation pathway. The results indicated that Pd oxidation reduces the sticking coefficient of reactive species but once molecules adsorb, the oxide surface can reduce the activation energy for subsequent reaction.     

Resolving Discrepancy between Theoretical and Experimental Optical Trapping Forces Using Effects of Beam Waist and Trapping Position Displacement due to Gravity

Optical trapping forces of polystyrene microspheres are analyzed both theoretically and experimentally, and comparisons are made between the two. Discrepancies are mainly caused by straight-ray approximation for axial trapping, and by trapping-position vertical displacement due to gravity for transverse trapping.     

Effects of trapped electrons on the line shape in emission Mössbauer spectra

To explain line broadening in emission Mössbauer spectra as compared to the corresponding absorber measurements, the model of trapped electrons has been proposed. Auger electrons (emitted, e.g. after electron capture by ⁵⁷Co or after the converted isomeric transition of ^119mSn), as well as secondary electrons, may be trapped in the proximity to the nucleogenic ion. Electrons captured by lattice traps at different distances from the daughter ion induce an asymmetric distribution of quadrupole splitting in the resulting emission spectra, as shown in a few examples. This model is supported by estimates of quadrupole splitting values which may be caused by such trapped electrons located at specified distances from the nucleogenic atom.     

Electron beam induced modification of poly(ethylene terephthalate) films

Electron beam processing of poly(ethylene terephthalate) (PET) films is found to promote significant changes in the melting heat, intrinsic viscosity and polymer film-liquid (water, isooctane and toluene) boundary surface tension. These properties are featured with several maximums depending on the absorbed dose and correlating with the modification of PET surface functionality. Studies using adsorption of acid-base indicators and IR-spectroscopy revealed that the increase of PET surface hydrophilicity is determined by the oxidation of methylene and methyne groups. Electron beam treatment of PET films on the surface of N-vinylpyrrolidone aqueous solution provided graft copolymerization with this comonomer at optimum process parameters (energy 700 keV, current 1 mA, absorbed dose 50 kGy).     

改善液晶光阀投影光学系统偏振特性的理论设计方法

定量分析了液晶光阀投影光学系统中影响系统对比度的主要因素，利用矢量方法建立三维空间数学模型对光线进行追迹，并利用琼斯矩阵和矢量光学的原理分析了偏振器件--主要是波片--和各种光学薄膜对光学系统性能的影响。给出了在一定假设条件下的对没有波片的光学系统和插入波征后的光学系统的仿真计算结果。两组数据比较表明在光路中插入合适相位差的波片可以显著提高系统对比度等性能。