Search results for "Absorption"
showing 10 items of 2701 documents
Crossing the boundary between face-centred cubic and hexagonal close packed: the structure of nanosized cobalt is unraveled by a model accounting for…
2014
The properties of nanostructured cobalt in the fields of magnetic, catalytic and biomaterials depend critically on Co close packing. This paper reports a structural analysis of nanosized cobalt based on the whole X-ray diffraction (XRD) pattern simulation allowed by the Debye equation. The underlying structural model involves statistical sequences of cobalt layers and produces simulated XRD powder patterns bearing the concurrent signatures of hexagonal and cubic close packing (h.c.p. and f.c.c.). Shape, size distribution and distance distribution between pairs of atoms are also modelled. The simulation algorithm allows straightforward fitting to experimental data and hence the quantitative …
Ultraviolet holographic recording in photopolymers
2011
Norland Optical Adhesive (NOA) acrylate based photopolymers were studied as a medium for Bragg grating fabrication. NOA photopolymers have absorption maximum in near UV region, but they are transparent in visible light region. Photopolymers were irradiated by He-Cd laser 325 nm line interference patterns during holographic recording. In light irradiated regions photopolymerization takes place and volume grating can be recorded. Diffraction efficiency in dependence on sample thickness, recording beams polarization state and intensity was investigated on transmission mode. Enlargement of sample thickness allows to achieve better angular selectivity of diffracted beam, therefore thickness of p…
Theoretical study of an absorbing sample in infrared near-field spectromicroscopy
2004
Abstract This paper is devoted to study the near-field spectrometry in the infrared spectral range. To understand the behavior of the infrared light diffracted by an object, numerical calculations have been carried out with Fourier Modale (FM) method within R-matrix algorithm. We consider the case of three-dimensional system including a translational symmetry in one direction, where is included an homogenous layer in which is buried an absorbing object. Using an optical near-field analysis and by calculating the electric field intensity distribution, both of the thickness effect and the lateral size of the absorbing sample are investigated. It is found that the distribution of the intensity…
Short and long range order of Half-Heusler phases in (Ti,Zr,Hf)CoSb thermoelectric compounds
2016
Abstract The structural properties of (Ti,Zr,Hf)CoSb thermoelectric Half-Heusler compounds were investigated by synchrotron radiation based techniques. The short-range order, in particular the environment of the Co atoms, was studied by extended X-Ray absorption fine structure spectroscopy and the long range order by powder X-Ray diffraction. Structural models were obtained for the single phase materials TiCoSb0.85Sn0.15, ZrCoSb0.85Sn0.15, and HfCoSb0.85Sn0.15. These models were transferred for the phase-separated material Ti0.5Hf0.5CoSb0.85Sn0.15. As a result, proving that each Half-Heusler phase was well ordered, apart from the intermixing of Ti and Hf on its designated crystallographic l…
Defects at the TiO2(100) surface probed by resonant photoelectron diffraction.
2006
We report photoelectron diffraction (PED) experiments of weakly sub-stoichiometric TiO 2 (100) rutile surfaces. Apart from standard core-level PED from the Ti-2p3/2 line, we have studied valence band PED from the defect induced Ti-3d states in the insulating band gap. For maximum yield, the latter were resonantly excited at the Ti-2p absorption edge. The PED patterns have been analyzed within the forward scattering approximation as well as by comparison with simulated PED patterns obtained in multiple scattering calculations. The analysis shows that the defect induced Ti-3d charge is mainly located on the second layer Ti atoms. © 2007 Elsevier B.V. All rights reserved.
XAFS analysis of the low symmetry octahedral molybdenum and tungsten oxides
1995
Abstract Comparative XAFS analysis of the main isostructural crystalline phases of W(Mo)O3 oxides and W(Mo)O3·nH2O hydrates has been done at the W L3 and Mo K edges. These compounds have (1) 3D perovskite-type (PT) structure (m-WO3); (2) 2D PT structure (WO3·H2O and MoO3·nH2O (n = 1,2)); (3) 2D hexagonal-type structure (WO3·1/3H2O) and (4) 2D double layered structure (α-MoO3). The detailed analysis of X-ray absorption fine structure (XAFS) in the low-symmetry structures shows that in order to simulate the experimental spectrum, it is sufficient to take into account single-scattering contributions in the range from 1.7 to ∼ 5.0 A and a number of multiple-scattering paths from nearly linear a…
Chirality and electronic structure of the thiolate-protected Au38 nanocluster.
2010
Structural, electronic, and optical properties of the thiolate-protected Au(38)(SR)(24) cluster are studied by density-functional theory computations (R = CH(3) and R = C(6)H(13)) and by powder X-ray crystallography (R = C(12)H(25)). A low-energy structure which can be written as Au(23)@(Au(SR)(2))(3)(Au(2)(SR)(3))(6) having a bi-icosahedral core and a chiral arrangement of the protecting gold-thiolate Au(x)(SR)(y) units yields an excellent match between the computed (for R = C(6)H(13)) and measured (for R = C(12)H(25)) powder X-ray diffraction function. We interpret in detail the electronic structure of the Au(23) core by using a particle-in-a-cylinder model. Although the alkane thiolate l…
Experimental and theoretical study to explain the morphology of CaMoO4 crystals
2018
Abstract CaMoO 4 crystals were prepared by a controlled co-precipitation method and processed in a domestic microwave-assisted hydrothermal system with two different surfactants (ethyl 4-dimethylaminobenzoate and 1,2,4,5-benzenetetracarboxylic dianhydride). The corresponding structures were characterized by X-ray diffraction and Rietveld refinement techniques, Fourier transform infrared spectroscopy, ultraviolet–visible absorption spectroscopy, and photoluminescence measurements. Field emission scanning electron microscopy was used to investigate the morphology of the as-synthesized aggregates. The structure, the surface stability of the (001), (112), (100), (110), (101), and (111) surfaces…
Wideband THz time domain spectroscopy based on optical rectification and electro-optic sampling
2013
We present an analytical model describing the full electromagnetic propagation in a THz time-domain spectroscopy (THz-TDS) system, from the THz pulses via Optical Rectification to the detection via Electro Optic-Sampling. While several investigations deal singularly with the many elements that constitute a THz-TDS, in our work we pay particular attention to the modelling of the time-frequency behaviour of all the stages which compose the experimental set-up. Therefore, our model considers the following main aspects: (i) pump beam focusing into the generation crystal; (ii) phase-matching inside both the generation and detection crystals; (iii) chromatic dispersion and absorption inside the c…
Cation Distribution in a Titanium Ferrite Fe2.75Ti0.25O4Measured byin-SituAnomalous Powder Diffraction Using Rietveld Refinement
1998
Many ferrites contain different cations with various valence states and location in the spinel structure. In compounds such as these, only a combination of different techniques such as Mussbauer spectroscopy, IR analysis, and thermogravimetry allows the distribution of cations to be obtained. For very complicated distributions, the mathematical decomposition of derivative thermogravimetric curves (DTG) leading to quantitative distribution is uncertain. In this paper, we present an alternative technique based on resonant diffraction. The anomalous scattering of each cation in the crystalline material is used to determine its amount and position by Rietveld refinement. Since the energy for su…