Search results for "Fine structure"
showing 10 items of 656 documents
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…
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…
Electron paramagnetic resonance, ENDOR and TRIPLE resonance study of some 9,10-anthraquinone radicals in solution
1992
EPR, ENDOR and TRIPLE resonance spectra were recorded for 1,8-dihydroxy-3-methyl-9,10-anthraquinone and 9,10-anthraquinone-2-carboxylic acid anion radicals and the 9,10-anthraquinol-2-carboxylic acid cation radical. EPR spectra were recorded for the 5,8-dideuterio-1,4-dideuterioxy-9,10-anthraquinone anion radical, the 6,7-dideuterio-1,4-dideuterioxy-9,10-anthraquinone anion radical and the 1,4-dihydroxy-9,10-anthraquinol cation radical. The coupling contants of the 1,4-dihydroxy-9,10-anthraquinone anion radical were assigned by deuteriation.
EPR studies of the oxyfluoride glass ceramics using Mn2+as a paramagnetic probe
2010
In this work, we used Mn2+ as a dopant in the oxyfluoride glasses with various fluoride compounds. Electron paramagnetic resonance (EPR) measurements were carried out before and after a heat treatment of the material. In both cases, a well pronounced hyperfine (hf) structure of the EPR spectra characteristic to the Mn2+ ion have been observed. EPR measurements have also been studied for the separate fluoride counterparts of the oxyfluoride glasses. EPR spectra of the LaF3:Mn2+ and CaF2:Mn2+ powders show that Mn2+ ion has a strong superhyperfine (shf) interaction with surrounding fluorine nuclei, and this shf structure could be observed also in the heat treated glass samples.
Determination of trace elements by resonant ionization mass spectrometry (RIMS)
1988
A resonant ionization mass spectrometer has been developed as an analytical tool for the detection of trace elements, especially of plutonium and other radionuclides. The sample, deposited on a rhenium filament, is evaporated by electrical heating and the atoms of the element under investigation are selectively ionized by laser light delivered from three dye lasers pumped by a copper vapour laser. The resulting photoions are detected in a time-of-flight spectrometer with a channelplate detector. For plutonium a mass resolution of M/δM=1500 was obtained and an overall detection efficiency of 4×10−6 was determined for stepwise excitation and ionization via autoionizing states. With a laser li…
Crystal Structure and Local Dynamics in Tetrahedral Proton-Conducting La1-xBa1+xGaO4
2010
La1-xBa1+xGaO4-0 (LBG) compounds, based on unconnected GaO4 moieties, were recently proposed as proton conductors. Protonic defects in the lattice are inserted through self-doping with Ba2+, to create oxygen vacancies subsequently filled by hydroxyl ions. We present a combined structural analysis on self-doped LBG using X-ray diffraction (XRD) and X-ray absorption (EXAFS): these results unravel the finer structural details on the short-range and long-range scales, and they are correlated with the dynamical properties of protonic conduction coming from vibrational spectroscopy. The structure of the GaO4 groups is independent of the oxide composition. On hydration, an array of short intertetr…
High precision hyperfine measurements in Bismuth challenge bound-state strong-field QED
2017
Electrons bound in highly charged heavy ions such as hydrogen-like bismuth 209Bi82+ experience electromagnetic fields that are a million times stronger than in light atoms. Measuring the wavelength of light emitted and absorbed by these ions is therefore a sensitive testing ground for quantum electrodynamical (QED) effects and especially the electron–nucleus interaction under such extreme conditions. However, insufficient knowledge of the nuclear structure has prevented a rigorous test of strong-field QED. Here we present a measurement of the so-called specific difference between the hyperfine splittings in hydrogen-like and lithium-like bismuth 209Bi82+,80+ with a precision that is improve…
Effect of Vacancies on Positron Annihilation and Hyperfine Interactions in Fe-Al Alloys - <i>Ab Initio</i> Study
2012
Vacancies occupying different sub-lattices of D03 structure of Fe3Al alloy were investigated by the full potential linearized augmented plane wave method. The calculations basing on the super-cell approach have been performed for the vacancy concentrations of 1.6 and 3 at.%. For both concentrations the sub-lattice preference for vacancy location was determined. The dependence of vacancy formation energy on magnetic state of structure has been found. The positron lifetimes for the annihilation in the bulk (Fe3Al) and in vacancies have been investigated basing on the ab initio results for the electron density. The effect of vacancies on spin magnetic moment and hy-perfine parameters of Fe ato…
Electron paramagnetic resonance line shape investigation of the Si-29 hyperfine doublet of the E'γ center in a-SiO2
2007
We report an experimental study by electron paramagnetic resonance (EPR) spectroscopy of the E′γ center and of its hyperfine structure, consisting in a pair of lines split by 42 mT. Our results show that two types of E′γ centers can be distinguished on the basis of the EPR line shapes of their main resonance line and hyperfine structure. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Au25(SEt)18 a nearly naked thiolate-protected Au25 cluster Struct. analysis by single crystal X-ray crystallograp. and electron nuclear double res
2014
X-ray crystallography has been fundamental in discovering fine structural features of ultrasmall gold clusters capped by thiolated ligands. For still unknown structures, however, new tools capable of providing relevant structural information are sought. We prepared a 25-gold atom nanocluster protected by the smallest ligand ever used, ethanethiol. This cluster displays the electrochemistry, mass spectrometry, and UV-vis absorption spectroscopy features of similar Au25 clusters protected by 18 thiolated ligands. The anionic and the neutral form of Au25(SEt)18 were fully characterized by (1)H and (13)C NMR spectroscopy, which confirmed the monolayer's properties and the paramagnetism of neutr…