Novel methods and universal software for HRXRD, XRR and GISAXS data interpretation

Several novel methods for evaluation and interpretation of X-ray data from modern nanostructures are presented along with their applications. The background of methods and their relations to fundamental problems of X-ray analysis is shortly described. The key features of LEPTOS software, which is designed for the analysis of X-ray data measured with various geometries and setups and implements all discussed techniques, are discussed.     

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.     

Spectroscopic and X-ray diffraction study of high Tc epitaxial YBCO thin films obtained by pulsed laser deposition

We report spectroscopic characterization of epitaxial YBCO thin films grown on LaAlO₃ by pulsed laser deposition. Raman spectroscopy and spectroscopic ellipsometry were used for film characterization and the results were correlated with X-ray diffraction measurements. The mentioned techniques allowed us to analyze crystallographic, micro-structural, and morphological properties of YBCO thin films. We also demonstrated that relatively low resolution Raman spectroscopy and spectroscopic ellipsometry are reliable techniques for a rapid and non-destructive characterization of epitaxial YBCO thin films.     

CuPc molecules adsorbed on Au(1 1 0)-(1 × 2): growth morphology and evolution of valence band states

We present the growth morphology, the long-range ordering, and the evolution of the valence band electronic states of ultrathin films of copper phthalocyanine (CuPc) deposited on the Au(1 1 0)-(1 × 2) reconstructed surface, as a function of the organic molecule coverage. The low energy electron diffraction patterns present a (5 × 3) reconstruction from the early adsorption stages. High-resolution UV photoelectron spectroscopy data show the disappearance of the Au surface states related to the (1 × 2) reconstruction, and the presence of new electronic features related to the molecule-substrate interaction and to the CuPc molecular states. The CuPc highest occupied molecular orbital gradually emerges in the valence band, while the interface electronic states are quenched, upon increasing the coverage.     

Charge density study under high pressure

The experimental and analytical method of the high-pressure powder experiment at BL10XU, SPring-8, is described. There is no doubt that BL10XU must be one of the most appropriate beam lines for high pressure X-ray diffraction experiment taking advantage of third generation synchrotron source. As an example of the advanced charge density study under high pressure, the structural change of Cs₂Au₂Br₆ by applying pressure is studied by Rietveld/MEM analysis. It reveals that the structural change of Cs₂Au₂Br₆ by applying pressure occurs basically at electron level, such as valence state change and chemical bonding, which may be called the electronic phase transition.     

Magnetic phases in Mn<Subscript>1</Subscript>_<Subscript>x</Subscript>Fe<Subscript>x</Subscript>WO<Subscript>4</Subscript> studied by neutron powder diffraction

The magnetic structures of Mn_1-xFe_xWO₄ with x = 0.0, 0.16, 0.21, 0.225, 0.232, 0.24, 0.27, 0.29, and 1.0 were refined from neutron powder diffraction data. The magnetic phase diagram could be completed in the coexistence range of different magnetic structures up to x = 0.29. For the magnetic state at 1.5 K a commensurate antiferromagnetic structure with a propagation vector = (±1/4, 1/2, 1/2) was found for x ⩽ 0.22 while the magnetic spins order with = (1/2, 0, 0) for x ≥ 0.22. In the latter phase, additionally, weak magnetic reflections indexed to an incommensurate ordering with = (- 0.214, 1/2, 0.457) occur in the diffraction pattern up to x = 0.29 indicating the occurence of a reentrant phase. For 0.12 ⩽ x ⩽ 0.29 the low temperature phases are separated from a magnetic high temperature phase showing only magnetic reflections indexed to a spin arrangement with = (1/2, 0, 0). The magnetic phase diagram is discussed qualitatively considering random superexchange between the statistically distributed Mn²⁺- and Fe²⁺-ions in the coexistence range 0.12 ⩽ x ⩽ 0.29 of different magnetic structures related to those of pure MnWO₄ and FeWO₄. Received 9 October 2002 Published online 14 March 2003     

高斯光束计算平板波导自由传输区远场分布及其修正

对近轴近似条件下求解亥姆霍兹方程得到的高斯光束显式传播公式做了分析，同时，基于基尔霍夫衍射理论，在菲涅耳近似的条件下给出了相应的高斯光束在远场的传播公式，在此基础上，对近轴近似条件做出了定量分析，给出了这个近似条件引入的误差，提出了一种计算高斯光束远场分布的修正方法，并采用有限差分-光束传播方法(FD-BPM)来检验各种方法的准确性。把这种修正方法应用到平面光集成波导器件，如阵列波导光栅(AWG)、蚀刻衍射光栅(EDG)等器件的设计和模拟中，可以大大降低工作的复杂性，同时可以得到精确的结果。     

Improvement of real time diffraction efficiency of NGD holograms by introducing electron donors

Nongelatin dichromated holographic film(NGD) is a new holographic recordingmaterial.Holograms recorded on this material have better environmental stability, higherdiffraction efficiency and stronger real time effect, etc..An experimental study to ascertainthe influence of two electron donors, namely,N,N-dimethylformamide(DMF) and dimethyl-sulfoxide(DMSO),on the real time diffraction efficiency(RTDE) of NGD holograms is car-ried out.The pressence of electron donors not only improves the sensitivity,but also enhancesthe real time effect greatly.RTDE of above 60% at±1 orders of NGD plane transimissiongrating is achieved by introducing electron donors.     

Relation between the Hydrodynamic and Elastic Parameters in Surface Wave Diffraction on a Floating Plate

The problem of surface wave diffraction on a floating elastic plate is considered. The relation between the parameters of the elastic vibrations of the plate and the transmitted and reflected wave amplitudes is investigated. It is shown that the maximum amplitudes of the plate stresses and deflections depend nonmonotonically on the incident wave frequency and are reached simultaneously with the maxima of both the transmission coefficient and the length of the wave penetrating into the plate. This makes it possible to use the transmission coefficient as a parameter for investigating the maximum and minimum amplitudes of the hydroelastic vibrations of the plate. As an example, this criterion is used to minimize the vibrations of a plate whose leading edge is elastically connected to the bottom.