WorldWideScience

Sample records for absorption fine structures

  1. Improved self-absorption correction for extended x-ray absorption fine-structure measurements

    Booth, C.H.; Bridges, F.

    2003-06-04

    Extended x-ray absorption fine-structure (EXAFS) data collected in the fluorescence mode are susceptible to an apparent amplitude reduction due to the self-absorption of the fluorescing photon by the sample before it reaches a detector. Previous treatments have made the simplifying assumption that the effect of the EXAFS on the correction term is negligible, and that the samples are in the thick limit. We present a nearly exact treatment that can be applied for any sample thickness or concentration, and retains the EXAFS oscillations in the correction term.

  2. EXAFS (Extended X-Ray Absorption Fine Structure): theory and applications

    EXAFS (Extended X-Ray Absorption Fine Structure) is introduced in a general way and the qualities of such a techique are shown. Some examples of applications of EXAFS in several branches of science are presented. (L.C.)

  3. Extended X-ray absorption fine structure investigation of nitrogen stabilized expanded austenite

    Oddershede, Jette; Christiansen, Thomas; Ståhl, Kenny;

    2010-01-01

    As-delivered austenitic stainless steel and nitrogen stabilized expanded austenite, both fully nitrided and denitrided (in H2), were investigated with Cr, Fe and Ni extended X-ray absorption fine structure. The data shows pronounced short-range ordering of Cr and N. For the denitrided specimen the...

  4. Generalized Ramsauer-Townsend effect in extended x-ray-absorption fine structure

    Theoretical backscattering amplitude and phase functions, B(k) and phi(k), used in extended x-ray-absorption fine structure (EXAFS) studies show strong features in their k dependence which can be identified as a ''generalized Ramsauer-Townsend effect.'' This effect is studied in detail for elements with atomic number 78≤Z≤90

  5. Solution spectroelectrochemical cell for in situ X-ray absorption fine structure

    A purpose-built spectroelectrochemical cell for in situ fluorescence XAFS (X-ray Absorption Fine Structure) measurements of bulk solution species during constant-potential electrolysis is described. The cell performance was demonstrated by the collection of europium L3-edge XANES (X-ray Absorption Near Edge Structure) throughout the course of electrolysis of an aqueous solution of EuCl3·6H2O in 1 M H2SO4. The europium L3-edge resonances reported here for the EuIII and EuII ions demonstrate that their 2p3/2 → 5d electronic transition probabilities are not the same

  6. The 16th International Conference on X-ray Absorption Fine Structure (XAFS16)

    Grunwaldt, J.-D.; Hagelstein, M.; Rothe, J.

    2016-05-01

    This preface of the proceedings volume of the 16th International Conference on X- ray Absorption Fine Structure (XAFS16) gives a glance on the five days of cutting-edge X-ray science which were held in Karlsruhe, Germany, August 23 - 28, 2015. In addition, several satellite meetings took place in Hamburg, Berlin and Stuttgart, a Sino-German workshop, three data analysis tutorials as well as special symposia on industrial catalysis and XFELs were held at the conference venue.

  7. Atomic calculations and search for variation of the fine-structure constant in quasar absorption spectra

    Dzuba, V. A.; Flambaum, V. V.

    A brief review of the search for variation of the fine structure constant in quasar absorption spectra is presented. Special consideration is given to the role of atomic calculations in the analysis of the observed data. A range of methods which allow to perform calculations for atoms or ions with different electron structure and which cover practically all periodic table of elements is discussed. Critical compilation of the results of the calculations as well as a review of the most recent results of the analysis are presented.

  8. Atomic calculations and search for variation of the fine structure constant in quasar absorption spectra

    Dzuba, V A

    2008-01-01

    A brief review of the search for variation of the fine structure constant in quasar absorption spectra is presented. Special consideration is given to the role of atomic calculations in the analysis of the observed data. A range of methods which allow to perform calculations for atoms or ions with different electron structure and which cover practically all periodic table of elements is discussed. Critical compilation of the results of the calculations as well as a review of the most recent results of the analysis are presented.

  9. Extended-x-ray-absorption-fine-structure study of small Fe molecules isolated in solid neon

    We have used rare gas matrix isolation techniques in combination with extended x-ray absorption fine structure (EXAFS) to study the variation in interatomic distances for small Fe molecules in solid neon. A considerable contraction in the interatomic distances was observed for the metal molecules. An Fe-Fe distance of 2.03 +- l0.03 A for the lowest concentration of metal was observed. This is in good agreement with early EXAFS measurements in Fe2-Ar. We also carried out a careful study of the x-ray-absorption near-edge structure (XANES), and observed the appearance of considerable structure for a 1.5-at. % Fe sample. The XANES spectra were analyzed in terms of 1s-to-(3d,4s) and 1s-to-4p transitions

  10. Fine Structure of the R Absorption Lines of Cr3+ in Antiferromagnetic Dysprosium Aluminum Garnet

    Aoyagi, Kiyoshi; Kajiura, Masako; Sugano, Satoru

    1981-11-01

    The absorption spectrum of a Cr3+ ion in an antiferromagnetic disprosium aluminum garnet with the Néel temperature TN of 2.5 K, is measured in the red region between 1.7 K and 4.2 K. It is shown that the fine structure of the R1 and R2 lines at 1.7 K can be explained by using an effective Hamiltonian for the t2g3 2E excited state of Cr3+ in the surrounding of the ordered Dy3+ spins. The gross feature of the observed temperature dependence of the fine structure is shown to be reproduced by assuming appropriate exchange interactions of Cr3+ with Dy3+.

  11. A new analysis of fine-structure constant measurements and modelling errors from quasar absorption lines

    Wilczynska, Michael R.; Webb, John K.; King, Julian A.; Murphy, Michael T.; Bainbridge, Matthew B.; Flambaum, Victor V.

    2015-01-01

    We present an analysis of 23 absorption systems along the lines of sight towards 18 quasars in the redshift range of $0.4 \\leq z_{abs} \\leq 2.3$ observed on the Very Large Telescope (VLT) using the Ultraviolet and Visual Echelle Spectrograph (UVES). Considering both statistical and systematic error contributions we find a robust estimate of the weighted mean deviation of the fine-structure constant from its current, laboratory value of $\\Delta\\alpha/\\alpha=\\left(0.22\\pm0.23\\right)\\times10^{-5...

  12. X-ray absorption fine structure spectroscopy studies of thiol-capped copper nanoparticles

    Monodisperse Copper nanoparticles with controllable sizes of 0.6 and 1.8nm were synthesized via modifying Brust-Schiffrin two-phase method. This route involves a slow reduction of [TOA]2[CuBr4] precursor in toluene, with particles sizes rationally controlled by the S/Cu ratio. Size-dependent inter-atomic distance contraction in the thiol-capped copper nanoparticles was investigated by Extended X-ray Absorption Fine Structure (EXAFS). The analysis revealed a shortened Cu-Cu inter-atomic distance, indicating strong surface interaction, in accord with the larger effect expected for ultrasmall particals (<2nm).

  13. A new analysis of fine-structure constant measurements and modelling errors from quasar absorption lines

    Wilczynska, Michael R.; Webb, John K.; King, Julian A.; Murphy, Michael T.; Bainbridge, Matthew B.; Flambaum, Victor V.

    2015-12-01

    We present an analysis of 23 absorption systems along the lines of sight towards 18 quasars in the redshift range of 0.4 ≤ zabs ≤ 2.3 observed on the Very Large Telescope (VLT) using the Ultraviolet and Visual Echelle Spectrograph (UVES). Considering both statistical and systematic error contributions we find a robust estimate of the weighted mean deviation of the fine-structure constant from its current, laboratory value of Δα/α = (0.22 ± 0.23) × 10-5, consistent with the dipole variation reported in Webb et al. and King et al. This paper also examines modelling methodologies and systematic effects. In particular, we focus on the consequences of fitting quasar absorption systems with too few absorbing components and of selectively fitting only the stronger components in an absorption complex. We show that using insufficient continuum regions around an absorption complex causes a significant increase in the scatter of a sample of Δα/α measurements, thus unnecessarily reducing the overall precision. We further show that fitting absorption systems with too few velocity components also results in a significant increase in the scatter of Δα/α measurements, and in addition causes Δα/α error estimates to be systematically underestimated. These results thus identify some of the potential pitfalls in analysis techniques and provide a guide for future analyses.

  14. Single shot near edge x-ray absorption fine structure spectroscopy in the laboratory

    Mantouvalou, I.; Witte, K.; Martyanov, W.; Jonas, A.; Grötzsch, D.; Streeck, C.; Löchel, H.; Rudolph, I.; Erko, A.; Stiel, H.; Kanngießer, B.

    2016-05-01

    With the help of adapted off-axis reflection zone plates, near edge X-ray absorption fine structure spectra at the C and N K-absorption edge have been recorded using a single 1.2 ns long soft X-ray pulse. The transmission experiments were performed with a laser-produced plasma source in the laboratory rendering time resolved measurements feasible independent on large scale facilities. A resolving power of E/ΔE ˜ 950 at the respective edges could be demonstrated. A comparison of single shot spectra with those collected with longer measuring time proves that all features of the used reference samples (silicon nitrate and polyimide) can be resolved in 1.2 ns. Hence, investigations of radiation sensitive biological specimen become possible due to the high efficiency of the optical elements enabling low dose experiments.

  15. A new analysis of fine-structure constant measurements and modelling errors from quasar absorption lines

    Wilczynska, Michael R; King, Julian A; Murphy, Michael T; Bainbridge, Matthew B; Flambaum, Victor V

    2015-01-01

    We present an analysis of 23 absorption systems along the lines of sight towards 18 quasars in the redshift range of $0.4 \\leq z_{abs} \\leq 2.3$ observed on the Very Large Telescope (VLT) using the Ultraviolet and Visual Echelle Spectrograph (UVES). Considering both statistical and systematic error contributions we find a robust estimate of the weighted mean deviation of the fine-structure constant from its current, laboratory value of $\\Delta\\alpha/\\alpha=\\left(0.22\\pm0.23\\right)\\times10^{-5}$, consistent with the dipole variation reported in Webb et al. and King et al. This paper also examines modelling methodologies and systematic effects. In particular we focus on the consequences of fitting quasar absorption systems with too few absorbing components and of selectively fitting only the stronger components in an absorption complex. We show that using insufficient continuum regions around an absorption complex causes a significant increase in the scatter of a sample of $\\Delta\\alpha/\\alpha$ measurements, th...

  16. High-sensitivity x-ray absorption fine structure investigation of arsenic shallow implant in silicon

    High-sensitivity fluorescence-yield x-ray absorption fine structure spectroscopy (XAFS) has been investigated to characterize the local structure around arsenic shallow implant in silicon. Fluorescence-yield XAFS experiments were performed using a high-brilliance synchrotron radiation beam from an in-vacuum-type undulator in a third-generation light source. In addition to investigating the efficiency of high-brilliance undulator x-rays during the fluorescence-yield XAFS measurements, we compared the analytical performance of both the wavelength dispersive spectrometer (WDS) and the energy dispersive spectrometer (EDS) based on the silicon drift detector (SDD). It was confirmed that the WDS reduces the influence of scattering background due to the high spectral resolution. Another advantage of the WDS is high counting rate measurements. It was found that fluorescence-yield XAFS using undulator x-rays combined with the WDS permits superior sensitivity measurements.

  17. Further evidence for a variable fine-structure constant from Keck/HIRES QSO absorption spectra

    Murphy, M T; Flambaum, V V

    2003-01-01

    [Abridged] We previously presented evidence for a varying fine-structure constant, alpha, in two independent samples of Keck/HIRES QSO spectra. Here we present a detailed many-multiplet analysis of a third Keck/HIRES sample containing 78 absorption systems. We also re-analyse the previous samples, providing a total of 128 absorption systems over the redshift range 0.2absorption clouds. Assuming that da/a=0 at z_abs=0, the da...

  18. Reflection-extented-x-ray-absorption-fine-structure spectroscopy at the carbon K-edge

    The authors report an investigation of the carbon K-edge Reflection-Extended X-Ray Absorption Fine Structure (refl-EXAFS) spectra from graphite, diamond and glassy carbon. There is good phase shift transferability between the two well-known bonding types in diamond and graphite, provided that appropriate inner potential corrections to the K-edge energy are made. The model spectra from diamond and graphite were used to investigate the nature of glassy carbon. It was found that, for the particular form of glassy carbon used in this study, the bonding more closely resembled sp3 than sp2. This result is preliminary pending evaluation of the influence of surface oxygen

  19. Extended x-ray absorption fine structure investigation of annealed carbon expanded austenite

    Oddershede, Jette; Christiansen, Thomas L.; Somers, Marcel A. J.;

    2012-01-01

    Carbon expanded austenite synthesized through carburizing of austenitic stainless steel powder at 380°C was annealed at 470°C and investigated with extended X-ray absorption fine structure (EXAFS) and synchrotron powder diffraction (SPD). SPD showed that the samples consisted of carbon expanded...... austenite and Hägg carbide, Ξ-M5C2. EXAFS showed that the Cr atoms were mainly present in environments similar to the carbides Hägg Ξ-M5C2 and M23C6. The environments of the Fe and Ni atoms were concluded to be largely metallic austenite. Light optical micrograph of stainless steel AISI 316 gas......-carburized in a temperature regime around 470°C. The surface zone is converted into carbon expanded austenite; the high interstitial content of carbon dissolved in the surface results in highly favorable materials properties. In the present article the local atomic environment of (annealed) carbon expanded...

  20. Uniform Catalytic Site in Sn-beta Zeolite Determined using X-ray Absorption Fine Structure

    Bare,S.; Kelly, S.; Sinkler, W.; Low, J.; Modica, F.; Valencia, S.; Corma, A.; Nemeth, L.

    2005-01-01

    The Sn silicate zeolite, Sn-{beta}, has been shown to be an efficient, selective heterogeneous catalyst for Baeyer-Villiger oxidations. Using primarily a multishell fit to extended X-ray absorption fine structure (EXAFS) data, we show that the Sn does not randomly insert into the {beta}-zeolite structure but rather occupies identical, specific, crystallographic sites. These sites are the T5/T6 sites in the six-membered rings. Moreover, the Sn is substituted in pairs on opposite sides of these six-membered rings. We believe that it is the specific, uniform crystallographic location of the Sn in the crystal structure that leads to sites with uniform catalytic activity, and consequently to the high chemical selectivity demonstrated for this catalyst. This manifests itself in the almost enzyme-like selectivity of this catalyst in Baeyer-Villiger oxidations. This uniform site distribution of the Sn suggests that there is likely a symbiotic relationship between the structure-directing agent in the zeolite synthesis and the Sn heteroatoms during the framework formation.

  1. Constraining the Variation of the Fine-structure Constant with Observations of Narrow Quasar Absorption Lines

    Songaila, A.; Cowie, L. L.

    2014-10-01

    The unequivocal demonstration of temporal or spatial variability in a fundamental constant of nature would be of enormous significance. Recent attempts to measure the variability of the fine-structure constant α over cosmological time, using high-resolution spectra of high-redshift quasars observed with 10 m class telescopes, have produced conflicting results. We use the many multiplet (MM) method with Mg II and Fe II lines on very high signal-to-noise, high-resolution (R = 72, 000) Keck HIRES spectra of eight narrow quasar absorption systems. We consider both systematic uncertainties in spectrograph wavelength calibration and also velocity offsets introduced by complex velocity structure in even apparently simple and weak narrow lines and analyze their effect on claimed variations in α. We find no significant change in α, Δα/α = (0.43 ± 0.34) × 10-5, in the redshift range z = 0.7-1.5, where this includes both statistical and systematic errors. We also show that the scatter in measurements of Δα/α arising from absorption line structure can be considerably larger than assigned statistical errors even for apparently simple and narrow absorption systems. We find a null result of Δα/α = (- 0.59 ± 0.55) × 10-5 in a system at z = 1.7382 using lines of Cr II, Zn II, and Mn II, whereas using Cr II and Zn II lines in a system at z = 1.6614 we find a systematic velocity trend that, if interpreted as a shift in α, would correspond to Δα/α = (1.88 ± 0.47) × 10-5, where both results include both statistical and systematic errors. This latter result is almost certainly caused by varying ionic abundances in subcomponents of the line: using Mn II, Ni II, and Cr II in the analysis changes the result to Δα/α = (- 0.47 ± 0.53) × 10-5. Combining the Mg II and Fe II results with estimates based on Mn II, Ni II, and Cr II gives Δα/α = (- 0.01 ± 0.26) × 10-5. We conclude that spectroscopic measurements of quasar absorption lines are not yet capable of

  2. Constraining the variation of the fine-structure constant with observations of narrow quasar absorption lines

    Songaila, A.; Cowie, L. L., E-mail: acowie@ifa.hawaii.edu [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States)

    2014-10-01

    The unequivocal demonstration of temporal or spatial variability in a fundamental constant of nature would be of enormous significance. Recent attempts to measure the variability of the fine-structure constant α over cosmological time, using high-resolution spectra of high-redshift quasars observed with 10 m class telescopes, have produced conflicting results. We use the many multiplet (MM) method with Mg II and Fe II lines on very high signal-to-noise, high-resolution (R = 72, 000) Keck HIRES spectra of eight narrow quasar absorption systems. We consider both systematic uncertainties in spectrograph wavelength calibration and also velocity offsets introduced by complex velocity structure in even apparently simple and weak narrow lines and analyze their effect on claimed variations in α. We find no significant change in α, Δα/α = (0.43 ± 0.34) × 10{sup –5}, in the redshift range z = 0.7-1.5, where this includes both statistical and systematic errors. We also show that the scatter in measurements of Δα/α arising from absorption line structure can be considerably larger than assigned statistical errors even for apparently simple and narrow absorption systems. We find a null result of Δα/α = (– 0.59 ± 0.55) × 10{sup –5} in a system at z = 1.7382 using lines of Cr II, Zn II, and Mn II, whereas using Cr II and Zn II lines in a system at z = 1.6614 we find a systematic velocity trend that, if interpreted as a shift in α, would correspond to Δα/α = (1.88 ± 0.47) × 10{sup –5}, where both results include both statistical and systematic errors. This latter result is almost certainly caused by varying ionic abundances in subcomponents of the line: using Mn II, Ni II, and Cr II in the analysis changes the result to Δα/α = (– 0.47 ± 0.53) × 10{sup –5}. Combining the Mg II and Fe II results with estimates based on Mn II, Ni II, and Cr II gives Δα/α = (– 0.01 ± 0.26) × 10{sup –5}. We conclude that spectroscopic measurements of

  3. Constraining the variation of the fine-structure constant with observations of narrow quasar absorption lines

    The unequivocal demonstration of temporal or spatial variability in a fundamental constant of nature would be of enormous significance. Recent attempts to measure the variability of the fine-structure constant α over cosmological time, using high-resolution spectra of high-redshift quasars observed with 10 m class telescopes, have produced conflicting results. We use the many multiplet (MM) method with Mg II and Fe II lines on very high signal-to-noise, high-resolution (R = 72, 000) Keck HIRES spectra of eight narrow quasar absorption systems. We consider both systematic uncertainties in spectrograph wavelength calibration and also velocity offsets introduced by complex velocity structure in even apparently simple and weak narrow lines and analyze their effect on claimed variations in α. We find no significant change in α, Δα/α = (0.43 ± 0.34) × 10–5, in the redshift range z = 0.7-1.5, where this includes both statistical and systematic errors. We also show that the scatter in measurements of Δα/α arising from absorption line structure can be considerably larger than assigned statistical errors even for apparently simple and narrow absorption systems. We find a null result of Δα/α = (– 0.59 ± 0.55) × 10–5 in a system at z = 1.7382 using lines of Cr II, Zn II, and Mn II, whereas using Cr II and Zn II lines in a system at z = 1.6614 we find a systematic velocity trend that, if interpreted as a shift in α, would correspond to Δα/α = (1.88 ± 0.47) × 10–5, where both results include both statistical and systematic errors. This latter result is almost certainly caused by varying ionic abundances in subcomponents of the line: using Mn II, Ni II, and Cr II in the analysis changes the result to Δα/α = (– 0.47 ± 0.53) × 10–5. Combining the Mg II and Fe II results with estimates based on Mn II, Ni II, and Cr II gives Δα/α = (– 0.01 ± 0.26) × 10–5. We conclude that spectroscopic measurements of quasar absorption lines are not yet

  4. Development of a two-dimensional imaging system of X-ray absorption fine structure.

    Katayama, Misaki; Sumiwaka, Koichi; Hayashi, Kazuhiro; Ozutsumi, Kazuhiko; Ohta, Toshiaki; Inada, Yasuhiro

    2012-09-01

    A two-dimensional imaging system of X-ray absorption fine structure (XAFS) has been developed at beamline BL-4 of the Synchrotron Radiation Center of Ritsumeikan University. The system mainly consists of an ionization chamber for I(0) measurement, a sample stage, and a two-dimensional complementary metal oxide semiconductor (CMOS) image sensor for measuring the transmitted X-ray intensity. The X-ray energy shift in the vertical direction, which originates from the vertical divergence of the X-ray beam on the monochromator surface, is corrected by considering the geometrical configuration of the monochromator. This energy correction improves the energy resolution of the XAFS spectrum because each pixel in the CMOS detector has a very small vertical acceptance of ∼0.5 µrad. A data analysis system has also been developed to automatically determine the energy of the absorption edge. This allows the chemical species to be mapped based on the XANES feature over a wide area of 4.8 mm (H) × 3.6 mm (V) with a resolution of 10 µm × 10 µm. The system has been applied to the chemical state mapping of the Mn species in a LiMn(2)O(4) cathode. The heterogeneous distribution of the Mn oxidation state is demonstrated and is considered to relate to the slow delocalization of Li(+)-defect sites in the spinel crystal structure. The two-dimensional-imaging XAFS system is expected to be a powerful tool for analyzing the spatial distributions of chemical species in many heterogeneous materials such as battery electrodes. PMID:22898951

  5. Does the fine structure constant vary? A third quasar absorption sample consistent with varying alpha

    Webb, J K; Flambaum, V V; Curran, S J

    2003-01-01

    We report preliminary results from a third sample of quasar absorption line spectra from the Keck telescope which has been studied to search for any possible variation of the fine structure constant, alpha. This third sample, which is larger than the sum of the two previously published samples, shows the same effect, and also gives, as do the previous two samples, a significant result. The combined sample yields a highly significant effect, da/a = (alpha_z - alpha_0)/alpha_0 = -0.57 +/- 0.10 x 10^{-5}, averaged over the redshift range 0.2 < z < 3.7. We include a brief discussion of small-scale kinematic structure in quasar absorbing clouds. However, kinematics are unlikely to impact significantly on the averaged non-zero da/a above, and we have so far been unable to identify any systematic effect which can explain it. New measurements of quasar spectra obtained using independent instrumentation and telescopes are required to properly check the Keck results.

  6. Constraining the Variation of the Fine Structure Constant with Observations of Narrow Quasar Absorption Lines

    Songaila, A

    2014-01-01

    The unequivocal demonstration of temporal or spatial variability in a fundamental constant of nature would be of enormous significance. Recent attempts to measure the variability of the fine structure constant, alpha, over cosmological time, using high resolution spectra of high redshift quasars observed with 10m class telescopes, have produced conflicting results. We used the Many Multiplet (MM) method with Mg II and Fe II lines on very high signal-to-noise, high resolution (R = 72,000) Keck HIRES spectra of eight narrow quasar absorption systems and show, using careful wavelength calibrations, that the systematic wavelength errors are too large for previous observations to have had the sensitivity to detect such variation using this technique. We find no significant change in alpha, Delta(alpha)/alpha =(0.00 +/- 0.24) x 10^(-5), in the redshift range z=0.7-1.5. We also show that the scatter in measurements of Delta(alpha)/alpha arising from line selection can be considerably larger than assigned statistical...

  7. Atomic Transition Frequencies, Isotope Shifts, and Sensitivity to Variation of the Fine Structure Constant for Studies of Quasar Absorption Spectra

    Berengut, J. C.; Dzuba, V. A.; Flambaum, V. V.; King, J. A.; Kozlov, M. G.; Murphy, M. T.; Webb, J. K.

    Theories unifying gravity with other interactions suggest spatial and temporal variation of fundamental "constants" in the Universe. A change in the fine structure constant, α = {e}2/hslash c , could be detected via shifts in the frequencies of atomic transitions in quasar absorption systems. Recent studies using 140 absorption systems from the Keck telescope and 153 from the Very Large Telescope, suggest that α varies spatially (61). That is, in one direction on the sky α seems to have been smaller at the time of absorption, while in the opposite direction it seems to have been larger.

  8. A surface extended X-ray absorption fine structure study of tellurium adsorbed onto Si(100)

    Burgess, S. R.; Cowie, B. C. C.; Wilks, S. P.; Dunstan, P. R.; Dunscombe, C. J.; Williams, R. H.

    1996-09-01

    The adsorption of tellurium on Si(100) has been studied using surface extended X-ray adsorption fine structure (SEXAFS) and X-ray standing wave spectroscopy (XSW). This particular system is of interest due to its potential applicability in the surfactant aided growth of CdHgTeCdTeSi(100) based infra-red detectors. The Te/Si(100) structure was generated by depositing a thick layer (˜ 100 Å) of CdTe onto a clean Si (2 × 1) double domain surface, and annealing the sample to 350°C. This resulted is a ˜ 1 ML Te terminated surface where the (2 × 1) reconstruction was lost in favour of a (1 × 1) symmetry. X-ray absorption of the Te L 3 edge ( E = 4341 eV), with a photon energy range of 4440-4700 eV, was probed using a total yield detection scheme. The SEXAFS results indicated that the Te atoms sat in 2-fold bridge sites directly above a fourth layer Si atom. The corresponding bond length was measured to be 2.52 ± 0.05 Å. The XSW measurements of the (400) reflection gave a coherent position of 1.63 ± 0.03 Å and a coherent fraction of 0.65. This is consistent with the breaking of the SiSi dimers and thus could be an example of the phenomena of adsorbate-induced dereconstruction of the surface. These results are compared with those of Bennet et al. who examined a similar system using soft X-ray photoemission (SXPS) and the STM study of Yoshikawa et al.

  9. Time-resolved pump-probe X-ray absorption fine structure spectroscopy of Gaq3

    Gallium(tris-8-hydroxyquinoline) (Gaq3) belongs to a class of metal organic compounds, used as electron transport layer and emissive layer in organic light emitting diodes. Many research activities have concentrated on the optical and electronic properties, especially of the homologue molecule aluminum(tris-8-hydroxyquinoline) (Alq3). Knowledge of the first excited state S1 structure of these molecules could provide deeper insight into the processes involved into the operation of electronic devices, such as OLEDs and, hence, it could further improve their efficiency and optical properties. Until now the excited state structure could not be determined experimentally. Most of the information about this structure mainly arises from theoretical calculations. X-ray absorption fine structure (XAFS) spectroscopy is a well developed technique to determine both, the electronic and the geometric properties of a sample. The connection of ultrashort pulsed X-ray sources with a pulsed laser system offers the possibility to use XAFS as a tool for studying the transient changes of a sample induced by a laser pulse. In the framework of this thesis a new setup for time-resolved pump-probe X-ray absorption spectroscopy at PETRA III beamline P11 was developed for measuring samples in liquid form. In this setup the sample is pumped into its photo-excited state by a femtosecond laser pump pulse with 343 nm wavelength and after a certain time delay probed by an X-ray probe pulse. In this way the first excited singlet state S1 of Gaq3 dissolved in benzyl alcohol was analyzed. A structural model for the excited state structure of the Gaq3 molecule based on the several times reproduced results of the XAFS experiments is proposed. According to this model it was found that the Ga-NA bond length is elongated, while the Ga-OA bond length is shortened upon photoexcitation. The dynamics of the structural changes were not the focus of this thesis. Nevertheless the excited state lifetime of Gaq3

  10. Fine structures in the optical absorption spectra of photochemical silver in silver halides? A call for further research

    Georgiev, Mladen

    2007-01-01

    A survey is presented of the work done so far to check earlier claims that a fine structure may be observed to occur under certain circumstances in the impurity spectral range of the optical absorption spectra of silver halides following photostimulation in the intrinsic range. This structure, associated with the photochemical formation of silver specks, has been questioned over the years. We now weigh carefully the experimental evidence on the silver halides against a background of similar d...

  11. Influence of the geometric structure on the V L3 near edge X-ray absorption fine structure from vanadium phosphorus oxide catalysts

    Hävecker, M.; Knop-Gericke, A.; Mayer, R; Fait, M.; Bluhm, H.; Schlögl, R.

    2002-01-01

    We present the V L3 near edge X-ray absorption fine structure (NEXAFS) of a vanadium phosphorus oxide (VPO) catalyst. The spectrum is related to the V3d-O2p hybridised unoccupied states. The overall peak position at the V L3-absorption edge is determined by the formal oxidation state of the absorbing vanadium atom. Details of the absorption fine structure are influenced by the geometric structure of the compound. Empirically we found a linear relationship between the energy position of severa...

  12. Influence of the geometric structure on the V L3 near edge X-ray absorption fine structure from vanadium phosphorus oxide catalysts

    Hävecker, Michael; Knop-Gericke, Axel; Mayer, Ralf W.; Fait, Martin; Bluhm, Hendrik; Schlögl, Robert

    2002-01-01

    We present the V L3 near edge X-ray absorption fine structure (NEXAFS) of a vanadium phosphorus oxide (VPO) catalyst. The spectrum is related to the V3d-O2p hybridised unoccupied states. The overall peak position at the V L3-absorption edge is determined by the formal oxidation state of the absorbing vanadium atom. Details of the absorption fine structure are influenced by the geometric structure of the compound. Empirically we found a linear relationship between the energy position of severa...

  13. Log spiral of revolution highly oriented pyrolytic graphite monochromator for fluorescence x-ray absorption edge fine structure

    We have constructed an x-ray monochromator based on a log spiral of revolution covered with highly oriented pyrolytic graphite. Such a monochromator is used for obtaining x-ray absorption edge fine structure by the fluorescence method, and is particularly useful for measuring the fine structure of dilute element A in a concentrated matrix of element B, where B is to the left of A in the Periodic Table. Using the log spiral monochromator, we measure good Cr x-ray fine structure in an alloy of 1% Cr in a V matrix, whereas the corresponding spectrum is severely distorted by the V background if nonmonochromatized fluorescence is used. We also obtain excellent rejection of Mn fluorescence relative to Cr fluorescence in a Cr80Mn20 alloy, and can tune the monochromator such that the entire Mn step height is significantly smaller than the Cr x-ray absorption edge fine structure oscillations for this system. (c) 2000 American Institute of Physics

  14. Determining Orientational Structure of Diamondoid Thiols Attached to Silver Using Near Edge X-ray Absorption Fine Structure Spectroscopy

    Willey, T M; Lee, J I; Fabbri, J D; Wang, D; Nielsen, M; Randel, J C; Schreiner, P R; Fokin, A A; Tkachenko, B A; Fokina, N A; Dahl, J P; Carlson, R K; Terminello, L J; Melosh, N A; van Buuren, T

    2008-10-07

    Near-edge x-ray absorption fine structure spectroscopy (NEXAFS) is a powerful tool for determination of molecular orientation in self-assembled monolayers and other surface-attached molecules. A general framework for using NEXAFS to simultaneously determine molecular tilt and twist of rigid molecules attached to surfaces is presented. This framework is applied to self-assembled monolayers of higher diamondoid, hydrocarbon molecules with cubic-diamond-cage structures. Diamondoid monolayers chemisorbed on metal substrates are known to exhibit interesting electronic and surface properties. This work compares molecular orientation in monolayers prepared on silver substrates using two different thiol positional isomers of [121]tetramantane, and thiols derived from two different pentamantane structural isomers, [1212]pentamantane and [1(2,3)4]pentamantane. The observed differences in monolayer structure demonstrate the utility and limitations of NEXAFS spectroscopy and the framework. The results also demonstrate the ability to control diamondoid assembly, in particular the molecular orientational structure, providing a flexible platform for the modification of surface properties with this exciting new class of nanodiamond materials.

  15. X-Ray Absorption Fine Structure Investigation of Copper(II) Mixed Ligand Complexes with Pyridinedicarboxylic Acid as Primary Ligand

    Dar, D. Ah.; Gaur, A.; Soni, B.; Shrivastava, B. D.; Prasad, J.; Srivastava, K.; Jha, S. N.; Bhattacharyya, D.

    2015-05-01

    The X-ray absorption fine structure (XAFS) spectra at the K-edge of the copper complexes Cu(PDC)(Mim)3 H2O ( 1) and Cu(PDC)2(EA)2H2O ( 2) (where PDC - Pyridine-2,3-dicarboxylic acid, Mim - 2-methylimidazole, and EA - ethyl acetate) have been investigated. The experimental extended X-ray absorption fine structure data of complex 1 have been analyzed by fitting the theoretical model generated from its own crystallographic data. The crystallographic data for complex 2 are not available. It has been found by comparing the intensity of the pre-edge peaks and X-ray absorption near edge structure features of complexes 1 and 2 that both complexes possess square pyramidal geometry around the copper centers and thus complex 2 is analogous to complex 1. Hence, the theoretical model generated for complex 1 has been fitted to the experimental EXAFS data of complex 2 to determine the structural parameters of complex 2. The coordination geometry of both complexes has been depicted. Further, the chemical shifts have been used to determine the oxidation state as well as to estimate the effective nuclear charge on the copper atom.

  16. Displacive phase-transition of cuprite Ag2O revealed by extended x-ray absorption fine structure

    Sanson, Andrea

    2016-08-01

    The low-temperature phase-transition of silver oxide (Ag2O) has been investigated by extended x-ray absorption fine structure (EXAFS) spectroscopy as a function of temperature. The thermal evolution of the local structure around Ag atoms has been determined. In particular, below the phase-transition temperature at ∼35 K, a progressive splitting of the Ag-Ag next-nearest-neighbor distances is observed. This definitely supports the idea that the phase-transition of Ag2O is due to displacive disorder of the Ag atoms.

  17. Determination of hexavalent chromium in plastic certified reference materials by X-ray absorption fine structure analysis

    Ohata, Masaki; Matsubayashi, Nobuyuki

    X-ray absorption fine structure (XAFS) analysis with transmission mode was used to determine the percentages of hexavalent chromium {Cr(VI)} in total Cr in plastic certified reference materials (CRMs). Cr-K edge X-ray absorption near-edge structure (XANES) spectra were observed and the normalized pre-edge peaks of the spectrum where absorption data was summed was acquired for the determination of Cr(VI). Examination of different number of data point and range of photon energy for summed absorption of the pre-edge peak resulted in reproducible absorption data, though the measurements were carried out at different beam time and beam line. The concentrations of Cr(VI) in the plastic CRMs were also estimated from both the certified value of total Cr and the determined percentage of Cr(VI). The analytical procedure and the estimated concentrations can be useful for the determination of Cr(VI) in plastics with respect to RoHS (restriction of the use of hazardous substances in electrical and electronics equipment) directive.

  18. Determination of hexavalent chromium in plastic certified reference materials by X-ray absorption fine structure analysis

    Ohata, Masaki, E-mail: m-oohata@aist.go.jp [Inorganic Standard Section, Inorganic Analytical Chemistry Division, National Metrology Institute of Japan (NMIJ), National Institute of Advanced Industrial Science and Technology (AIST) (Japan); Matsubayashi, Nobuyuki [Super-Spectroscopy System Research Group, Research Institute of Instrumentation Frontier (RIIF), National Institute of Advanced Industrial Science and Technology (AIST) (Japan)

    2014-03-01

    X-ray absorption fine structure (XAFS) analysis with transmission mode was used to determine the percentages of hexavalent chromium {Cr(VI)} in total Cr in plastic certified reference materials (CRMs). Cr-K edge X-ray absorption near-edge structure (XANES) spectra were observed and the normalized pre-edge peaks of the spectrum where absorption data was summed was acquired for the determination of Cr(VI). Examination of different number of data point and range of photon energy for summed absorption of the pre-edge peak resulted in reproducible absorption data, though the measurements were carried out at different beam time and beam line. The concentrations of Cr(VI) in the plastic CRMs were also estimated from both the certified value of total Cr and the determined percentage of Cr(VI). The analytical procedure and the estimated concentrations can be useful for the determination of Cr(VI) in plastics with respect to RoHS (restriction of the use of hazardous substances in electrical and electronics equipment) directive.

  19. 100-picosecond time-resolved X-ray absorption fine structure of FeII(1,10-phenanthroline)3

    Studying photo-induced molecular dynamics in liquid with sub-nanosecond time-resolution and sub-Angstrom spatial resolution gives information for understanding fundamental chemical process in the photo-induced cooperative phenomena of molecular systems and also for developing new materials and devices. Here, we present time-resolved X-ray absorption fine structure on the spin-crossover complex FeII tris-(1,10-phenanthroline) dissolved in aqueous solution. We utilized femtosecond laser at 400nm pulse for excitation and 100ps X-ray pulse for probe.

  20. 100-picosecond time-resolved X-ray absorption fine structure of FeII(1,10-phenanthroline)3

    Sato, Tokushi; Nozawa, Shunsuke; Ichiyanagi, Kouhei; Tomita, Ayana; Ichikawa, Hirohiko; Chollet, Matthieu; Fujii, Hiroshi; Adachi, Shin-ichi; Koshihara, Shin-ya

    2009-02-01

    Studying photo-induced molecular dynamics in liquid with sub-nanosecond time-resolution and sub-Angstrom spatial resolution gives information for understanding fundamental chemical process in the photo-induced cooperative phenomena of molecular systems and also for developing new materials and devices. Here, we present time-resolved X-ray absorption fine structure on the spin-crossover complex FeII tris-(1,10-phenanthroline) dissolved in aqueous solution. We utilized femtosecond laser at 400nm pulse for excitation and 100ps X-ray pulse for probe.

  1. Determining biological fine structure by differential absorption of soft x-rays

    The use of soft x-ray contact microscopy in examining histochemically treated human tissue embedded in plastic and exposed as unstained thin sections is demonstrated. When our preliminary data revealed that we could clearly image not only the histochemical reaction product, but the unstained biological fine structure of the surrounding tissues, we decided to test our hypothesis further and see if we could image unstained biological molecular aggregates as well. For this part of the investigation, we chose to examine hydrated proteoglycan aggregates. Proteoglycans are an essential component of the organic matrix of cartilage, and play a primary role in the retention and maintenance of extracellular water. To avoid any artifacts due to the introduction of exogeneous materials, and examine the proteoglycan aggregates in their hydrated, natural configuration, we made contact x-ray images of isolated proteoglycan aggregates in water

  2. PREFACE: The 15th International Conference on X-ray Absorption Fine Structure (XAFS15)

    Wu, Z. Y.

    2013-04-01

    The 15th International Conference on X-ray Absorption Fine Structure (XAFS15) was held on 22-28 July 2012 in Beijing, P. R. China. About 340 scientists from 34 countries attended this important international event. Main hall Figure 1. Main hall of XAFS15. The rapidly increasing application of XAFS to the study of a large variety of materials and the operation of the new SR source led to the first meeting of XAFS users in 1981 in England. Following that a further 14 International Conferences have been held. Comparing a breakdown of attendees according to their national origin, it is clear that participation is spreading to include attendees from more and more countries every year. The strategy of development in China of science and education is increasing quickly thanks to the large investment in scientific and technological research and infrastructure. There are three Synchrotron Radiation facilities in mainland China, Hefei Light Source (HLS) in the National Natural Science Foundation of China (NSRL), Beijing Synchrotron Radiation Facility (BSRF) in the Institute of High Energy Physics, and Shanghai Synchrotron Radiation Facility (SSRF) in the Shanghai Institute of Applied Physics. More than 10000 users and over 5000 proposals run at these facilities. Among them, many teams from the USA, Japan, German, Italy, Russia, and other countries. More than 3000 manuscript were published in SCI journals, including (incomplete) Science (7), Nature (10), Nature Series (7), PNAS (3), JACS (12), Angew. Chem. Int. Ed. (15), Nano Lett. (2), etc. In XAFS15, the participants contributed 18 plenary invited talks, 16 parallel invited talks, 136 oral presentations, 12 special talks, and 219 poster presentations. Wide communication was promoted in the conference halls, the classical banquet restaurant, and the Great Wall. Parallel hallCommunicationPoster room Figure 2. Parallel hallFigure 3. CommunicationFigure 4. Poster room This volume contains 136 invited and contributed papers

  3. A comparison of fine structures in high-resolution x-ray-absorption spectra of various condensed organic molecules.

    Schoell, A; Zou, Y; Huebner, D; Urquhart, S G; Schmidt, Th; Fink, R; Umbach, E

    2005-07-22

    We report on a high-resolution C-K and O-K near-edge x-ray-absorption fine-structure (NEXAFS) study of large aromatic molecules in condensed thin films, namely, anhydrides 1,4,5,8-naphthalene-tetracarboxylic acid dianhydride, 3,4,9,10-perylene-tetracarboxylic acid dianhydride, benzoperylene-(1,2)-dicarboxylic acid anhydride, and 1,8-naphthalene-dicarboxylic acid anhydride and the quinoic acenaphthenequinone. Due to the high-energy resolution of the third-generation synchrotron source BESSY II we observe large differences in the NEXAFS fine structures even for very similar molecules, resulting in a wealth of new information. The rich fine structure can unambiguously be assigned to the coupling of electronic transitions to vibronic excitations. Backed by ab initio calculations we present a detailed analysis of the spectra that allows the complete interpretation of the near-edge features. It also yields information on the vibronic properties in the electronically excited state as well as on the response of the electronic system upon core excitation. The strong differences in the electron-vibron coupling for different molecules are discussed. PMID:16095371

  4. Clarifying the chemical state of additives in membranes for polymer electrolyte fuel cells by X-ray absorption fine structure

    Tanuma, Toshihiro; Itoh, Takanori

    2016-02-01

    Cerium and manganese compounds are used in the membrane for polymer electrolyte fuel cells (PEFCs) as radical scavengers to mitigate chemical degradation of the membrane. The chemical states of cerium and manganese in the membrane were investigated using a fluorescence X-ray absorption fine structure (XAFS) technique. Membrane electrode assemblies (MEAs) were subjected to open circuit voltage (OCV) condition, under which hydroxyl radicals attack the membrane; a shift in absorption energy in X-ray absorption near edge structure (XANES) spectra was compared between Ce- and Mn-containing membranes before and after OCV testing. In the case of the Ce-containing MEA, there was no significant difference in XANES spectra before and after OCV testing, whereas in the case of the Mn-containing MEA, there was an obvious shift in XANES absorption energy after OCV testing, indicating that Mn atoms with higher valence state than 2+ exist in the membrane after OCV testing. This can be attributed to the difference in the rate of reduction; the reaction of Ce4+ with ·OOH is much faster than that of Mn3+ with ·OOH, leaving some of the Mn atoms with higher valence state. It was confirmed that cerium and manganese redox couples reduced the attack from radicals, mitigating membrane degradation.

  5. Local structure of Th complexes on montmorillonite clay mineral determined by extended X-ray absorption fine structure (EXAFS) spectroscopy

    The research at the Waste Management Laboratory, PSI, concentrates on the understanding of safety relevant mechanisms and processes that govern the release of radionuclides from waste matrices, and their transport through engineered barrier systems and the surrounding geosphere. For this reason, detailed sorption studies of radionuclides in clay and cement systems are conducted. The studies are combined with extended X-ray absorption fine structure (EXAFS) spectroscopy measurements in order to understand the sorption mechanisms at an atomic level. In this manuscript, a case study of Th(IV) uptake on montmorillonite is presented. EXAFS samples were prepared by incubating a montmorillonite suspension with Th for seven days at pH = 5 (Thinitial: 4.3 x 10-5 to 4 x 10-4 M). The resulting Th loadings on the clay varied between 14 and 166 μmol/g. LIII-Th EXAFS spectra of Th-treated montmorillonite were measured at the Rossendorf Beamline at the European Synchrotron Radiation Facility. Data analysis revealed the presence of two O shells at 2.27 angstrom and 2.45 angstrom in all samples. The spectra at low Th uptake suggest the presence of Si/A1 and Th backscattering atoms at distances of 3.85 angstrom and 3.77 angstrom respectively. The presence of a Th-Si/A1 backscattering pair suggests that Th is bound to Si tetrahedra by a double corner-sharing manner. At higher Th uptake, however, the spectrum shows a strong similarity with the spectrum of amorphous Th(OH)4 and suggests that Th is predominately present as a newly formed Th(OH)4-like phase. (authors)

  6. X-ray absorption fine structure spectroscopic determination of plutonium speciation at the Rocky Flats environmental technology

    Lezama-pacheco, Juan S [Los Alamos National Laboratory; Conradson, Steven D [Los Alamos National Laboratory; Clark, David L [Los Alamos National Laboratory

    2008-01-01

    X-ray Absorption Fine Structure spectroscopy was used to probe the speciation of the ppm level Pu in thirteen soil and concrete samples from the Rocky Flats Environmental Technology Site in support of the site remediation effort that has been successfully completed since these measurements. In addition to X-ray Absorption Near Edge Spectra, two of the samples yielded Extended X-ray Absorption Fine Structure spectra that could be analyzed by curve-fits. Most of these spectra exhibited features consistent with PU(IV), and more specificaJly, PuO{sub 2+x}-type speciation. Two were ambiguous, possibly indicating that Pu that was originally present in a different form was transforming into PuO{sub 2+x}, and one was interpreted as demonstrating the presence of an unusual Pu(VI) compound, consistent with its source being spills from a PUREX purification line onto a concrete floor and the resultant extreme conditions. These experimental results therefore validated models that predicted that insoluble PuO{sub 2+x} would be the most stable form of Pu in equilibrium with air and water even when the source terms were most likely Pu metal with organic compounds or a Pu fire. A corollary of these models' predictions and other in situ observations is therefore that the minimal transport of Pu that occurred on the site was via the resuspension and mobilization of colloidal particles. Under these conditions, the small amounts of diffusely distributed Pu that were left on the site after its remediation pose only a negligible hazard.

  7. Fine structures in the optical absorption spectra of photochemical silver in silver halides? A call for further research

    Georgiev, Mladen

    2007-01-01

    A survey is presented of the work done so far to check earlier claims that a fine structure may be observed to occur under certain circumstances in the impurity spectral range of the optical absorption spectra of silver halides following photostimulation in the intrinsic range. This structure, associated with the photochemical formation of silver specks, has been questioned over the years. We now weigh carefully the experimental evidence on the silver halides against a background of similar data on the alkali halides, where competing processes run slower. We come to the conclusion that present day advances in experimental techniques may be quite adequate for providing a solid experimental basis to solve the problem unambiguously.

  8. On variations in the fine-structure constant and limits on AGB pollution of quasar absorption systems

    Fenner, Y; Gibson, B K

    2005-01-01

    At redshifts z_abs < 2, quasar absorption-line constraints on space-time variations in the fine-structure constant, alpha, rely on the comparison of MgII and FeII transition wavelengths. One potentially important uncertainty is the relative abundance of Mg isotopes in the absorbers which, if different from solar, can cause spurious shifts in the measured wavelengths and, therefore, alpha. Here we explore chemical evolution models with enhanced populations of intermediate-mass (IM) stars which, in their asymptotic giant branch (AGB) phase, are thought to be the dominant factories for heavy Mg isotopes at the low metallicities typical of quasar absorption systems. By design, these models partially explain recent Keck/HIRES evidence for a smaller alpha in z_abs < 2 absorption clouds than on Earth. However, such models also over-produce N, violating observed abundance trends in high-z_abs damped Lyman-alpha systems (DLAs). Our results do not support the recent claim of Ashenfelter, Mathews & Olive (2004...

  9. Atomic transition frequencies, isotope shifts, and sensitivity to variation of the fine structure constant for studies of quasar absorption spectra

    Berengut, J C; Flambaum, V V; King, J A; Kozlov, M G; Murphy, M T; Webb, J K

    2010-01-01

    Theories unifying gravity with other interactions suggest spatial and temporal variation of fundamental "constants" in the Universe. A change in the fine structure constant, alpha, could be detected via shifts in the frequencies of atomic transitions in quasar absorption systems. Recent studies using 140 absorption systems from the Keck telescope and 153 from the Very Large Telescope, suggest that alpha varies spatially. That is, in one direction on the sky alpha seems to have been smaller at the time of absorption, while in the opposite direction it seems to have been larger. To continue this study we need accurate laboratory measurements of atomic transition frequencies. The aim of this paper is to provide a compilation of transitions of importance to the search for alpha variation. They are E1 transitions to the ground state in several different atoms and ions, with wavelengths ranging from around 900 - 6000 A, and require an accuracy of better than 10^{-4} A. We discuss isotope shift measurements that are...

  10. Laboratory-based recording of holographic fine structure in X-ray absorption anisotropy using polycapillary optics

    Dabrowski, K.M. [Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Krakow (Poland); Korecki, P., E-mail: pawel.korecki@uj.edu.pl [Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Krakow (Poland)

    2012-08-15

    Highlights: Black-Right-Pointing-Pointer Holographic fine structures in X-ray absorption recorded using a tabletop setup. Black-Right-Pointing-Pointer Setup based on polycapillary collimating optics and an HOPG crystal. Black-Right-Pointing-Pointer Demonstration of element sensitivity by detection of X-ray fluorescence. Black-Right-Pointing-Pointer Potential of laboratory-based experiments for heavily doped crystals and thin films. - Abstract: A tabletop setup composed of a collimating polycapillary optics and a highly oriented pyrolytic graphite monochromator (HOPG) was characterized and used for recording two-dimensional maps of X-ray absorption anisotropy (XAA). XAA originates from interference of X-rays directly inside the sample. Depending on experimental conditions, fine structures in XAA can be interpreted in terms of X-ray holograms or X-ray standing waves and can be used for an element selective atomic-resolved structural analysis. The implementation of polycapillary optics resulted in a two-order of magnitude gain in the radiant intensity (photons/s/solid angle) as compared to a system without optics and enabled efficient recording of XAA with a resolution of 0.15 Degree-Sign for Mo K{alpha} radiation. Element sensitivity was demonstrated by acquisition of distinct XAA signals for Ga and As atoms in a GaAs (1 1 1) wafer by using X-ray fluorescence as a secondary signal. These results indicate the possibility of performing laboratory-based XAA experiments for heavily doped single crystals or thin films. So far, because of the weak holographic modulation of XAA, such experiments could be only performed using synchrotron radiation.

  11. Artificial intelligence applied to the automatic analysis of absorption spectra. Objective measurement of the fine structure constant

    Bainbridge, Matthew B

    2016-01-01

    A new and fully-automated method is presented for the analysis of high-resolution absorption spectra (GVPFIT). The method has broad application but here we apply it specifically to the problem of measuring the fine structure constant at high redshift. For this we need objectivity and reproducibility. GVPFIT is also motivated by the importance of obtaining a large statistical sample of measurements of $\\Delta\\alpha/\\alpha$. Interactive analyses are both time consuming and complex and automation makes obtaining a large sample feasible. Three numerical methods are unified into one artificial intelligence process: a genetic algorithm that emulates the Darwinian processes of reproduction, mutation and selection, non-linear least-squares with parameter constraints (VPFIT), and Bayesian model averaging. In contrast to previous methodologies, which relied on a particular solution as being the most likely model, GVPFIT plus Bayesian model averaging derives results from a large set of models, and helps overcome systema...

  12. Note: Construction of x-ray scattering and x-ray absorption fine structure beamline at the Pohang Light Source

    A new hard x-ray beamline, 10B KIST-PAL beamline (BL10B), has been designed and constructed at the Pohang Light Source (PLS) in Korea. The beamline, operated by Pohang Accelerator Laboratory-Korean Institute of Science and Technology consortium, is dedicated to x-ray scattering (XRS) and x-ray absorption fine structure (XAFS) experiments. X rays with photon energies from 4.0 to 16.0 keV are delivered to the experimental station passing a collimating mirror, a fixed-exit double-crystal Si(111) monochromator, and a toroidal mirror. Basic experimental equipments for XAFS measurement, a high resolution diffractometry, an image plate detector system, and a hot stage have been prepared for the station. From our initial commissioning and performance testing of the beamline, it is observed that BL10B beamline can perform XRS and XAFS measurements successfully.

  13. Methods of Determining Lead Speciation in Fly Ash by X-ray Absorption Fine-Structure Spectroscopy and a Sequential Extraction Procedure

    Funatsuki, Atsushi; Takaoka, Masaki; Oshita, Kazuyuki; Takeda, Nobuo

    2012-01-01

    Understanding the chemical state of lead in fly ash generated from a waste thermal treatment is important, since the toxicity and solubility of the element depends on its chemical state. This study identified three potential methods for obtaining quantitative information regarding the chemical state of lead in fly ash: X-ray absorption near edge structure (XANES) analysis, extended X-ray absorption fine structure (EXAFS) analysis, and the sequential extraction procedure. The result of this pr...

  14. Oxygen K-edge extended x-ray-absorption fine-structure studies of molecules containing oxygen and carbon atoms

    The absorption spectra of a group of selected molecules containing O: C bonds, carbon monoxide, carbon dioxide, carbonyl sulfide, acetone, ethanol, diethylether, tetrahydrofuran, and dioxane, have been recorded in a transmission mode in the energy region from 500 to 1000 eV. Earlier observation of extended x-ray-absorption fine structure (EXAFS) in some of these molecules is confirmed. A systematic analysis of the EXAFS spectra is performed. The results in both phase and amplitude show disagreement with the single-electron single-scattering theory with plane-wave approximation. The measured phase is systematically lower than the theory of Teo and Lee [J. Am. Chem. Soc. 101, 2815 (1979)] by about 0.7--1.5 rad, which may be significant in determining interatomic distances. The EXAFS amplitude function in the molecules containing oxygen-carbon single bonds also shows an appreciable deviation (decrease) in the first-neighbor backscattering from that predicted by theory and an increase in the second-neighbor backscattering at high-k values

  15. High-precision limit on variation in the fine-structure constant from a single quasar absorption system

    Kotuš, Srđan M; Carswell, Robert F

    2016-01-01

    The brightest southern quasar above redshift $z=1$, HE 0515$-$4414, with its strong intervening metal absorption-line system at $z_{abs}=1.1508$, provides a unique opportunity to precisely measure or limit relative variations in the fine-structure constant ($\\Delta\\alpha/\\alpha$). A variation of just $\\sim$3 parts per million (ppm) would produce detectable velocity shifts between its many strong metal transitions. Using new and archival observations from the Ultraviolet and Visual Echelle Spectrograph (UVES) we obtain an extremely high signal-to-noise ratio spectrum (peaking at S/N $\\approx250$ pix$^{-1}$). This provides the most precise measurement of $\\Delta\\alpha/\\alpha$ from a single absorption system to date, $\\Delta\\alpha/\\alpha=-1.42\\pm0.55_{\\rm stat}\\pm0.65_{\\rm sys}$ ppm, comparable with the precision from previous, large samples of $\\sim$150 absorbers. The largest systematic error in all (but one) previous similar measurements, including the large samples, was long-range distortions in the wavelengt...

  16. Precise limits on cosmological variability of the fine-structure constant with zinc and chromium quasar absorption lines

    Murphy, Michael T; Prochaska, J Xavier

    2016-01-01

    The strongest transitions of Zn and CrII are the most sensitive to relative variations in the fine-structure constant ($\\Delta\\alpha/\\alpha$) among the transitions commonly observed in quasar absorption spectra. They also lie within just 40 \\AA\\ of each other (rest frame), so they are resistant to the main systematic error affecting most previous measurements of $\\Delta\\alpha/\\alpha$: long-range distortions of the wavelength calibration. While Zn and CrII absorption is normally very weak in quasar spectra, we obtained high signal-to-noise, high-resolution echelle spectra from the Keck and Very Large Telescopes of 9 rare systems where it is strong enough to constrain $\\Delta\\alpha/\\alpha$ from these species alone. These provide 12 independent measurements (3 quasars were observed with both telescopes) at redshifts 1.0--2.4, 11 of which pass stringent reliability criteria. These 11 are all consistent with $\\Delta\\alpha/\\alpha=0$ within their individual uncertainties of 3.5--13 parts per million (ppm), with a we...

  17. Sulfur X-ray absorption fine structure in porous Li–S cathode films measured under argon atmospheric conditions

    Müller, Matthias, E-mail: matthias.mueller@ptb.de [Physikalisch-Technische Bundesanstalt, Abbestr. 2-12, 10587 Berlin (Germany); Choudhury, Soumyadip [Leibniz-Institut für Polymerforschung, Hohe Strasse 6, 01069 Dresden (Germany); Technische Universität Dresden, Physical Chemistry of Polymeric Materials ,01062 Dresden (Germany); Gruber, Katharina [VARTA Micro Innovation GmbH, Stremayrgasse 9, 8010 Graz (Austria); Cruz, Valene B. [Universität Ulm, Institut für Elektrochemie, 89069 Ulm (Germany); Helmholtz-Institut Ulm (HIU), 89069 Ulm (Germany); Fuchsbichler, Bernd [VARTA Micro Innovation GmbH, Stremayrgasse 9, 8010 Graz (Austria); Jacob, Timo [Universität Ulm, Institut für Elektrochemie, 89069 Ulm (Germany); Helmholtz-Institut Ulm (HIU), 89069 Ulm (Germany); Koller, Stefan [VARTA Micro Innovation GmbH, Stremayrgasse 9, 8010 Graz (Austria); Stamm, Manfred [Leibniz-Institut für Polymerforschung, Hohe Strasse 6, 01069 Dresden (Germany); Technische Universität Dresden, Physical Chemistry of Polymeric Materials ,01062 Dresden (Germany); Ionov, Leonid [Leibniz-Institut für Polymerforschung, Hohe Strasse 6, 01069 Dresden (Germany); Beckhoff, Burkhard [Physikalisch-Technische Bundesanstalt, Abbestr. 2-12, 10587 Berlin (Germany)

    2014-04-01

    In this paper we present the first results for the characterization of highly porous cathode materials with pore sizes below 1 μm for Lithium Sulfur (Li–S) batteries by Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy. A novel cathode material of porous carbon films fabricated with colloidal array templates has been investigated. In addition, an electrochemical characterization has been performed aiming on an improved correlation of physical and chemical parameters with the electrochemical performance. The performed NEXAFS measurements of cathode materials allowed for a chemical speciation of the sulfur content inside the cathode material. The aim of the presented investigation was to evaluate the potential of the NEXAFS technique to characterize sulfur in novel battery material. The long term goal for the characterization of the battery materials is the sensitive identification of undesired side reactions, such as the polysulfide shuttle, which takes place during charging and discharging of the battery. The main drawback associated with the investigation of these materials is the fact that NEXAFS measurements can usually only be performed ex situ due to the limited in situ instrumentation being available. For Li–S batteries this problem is more pronounced because of the low photon energies needed to study the sulfur K absorption edge at 2472 eV. We employed 1 μm thick Si{sub 3}N{sub 4} windows to construct sealed argon cells for NEXAFS measurements under ultra high vacuum (UHV) conditions as a first step towards in situ measurements. The cells keep the sample under argon atmosphere at any time and the X-ray beam passes mainly through vacuum which enables the detection of the low energy X-ray emission of sulfur. Using these argon cells we found indications for the presence of lithium polysulfides in the cathode films whereas the correlations to the offline electrochemical results remain somewhat ambiguous. As a consequence of these findings one

  18. Differentiation of biological hydroxyapatite compounds by infrared spectroscopy, x-ray diffraction and extended x-ray absorption fine structure

    Chassot, E.; Oudadesse, H.; Irigaray, J.; Curis, E.; Bénazeth, S.; Nicolis, I.

    2001-12-01

    Pure hydroxyapatite (HAP) and HAP doped with 800 ppm of zinc were implanted in cortical bone of femur diaphysis of ovines [J. L. Irigaray et al., Mater. Clin. Appl. 28, 399 (1999)]. We observed that the doped HAP was better resorbed than pure HAP. The first hypothesis is that zinc acts as a stimulator on macrophage cells and improves quantity and quality of osteoblast cells. The second hypothesis is that zinc yields HAP structure that is better resorbed in biological field. For our experiment we used HAP doped with 3000 ppm of zinc in order to have a good sensitivity. In the present work, chemical studies by inductively coupled plasma absorption emission spectrometry, x ray diffraction, and infrared were carried out to determine the composition of major and trace elements in the doped hydroxyapatite, and the crystallographic structure. These studies can indicate possible modifications induced by the insertion of zinc. We used the extended x-ray absorption fine structure experimental station of LURE (Orsay, France) to try to clarify the atomic surroundings of zinc in doped HAP structure and transformations induced in initial lattice. Despite the low zinc concentration, we got good quality fluorescence mode spectra. These spectra showed medium range order of the material that is consistent with its crystalline form. To perform the analysis, we compared the result obtained with another models like β tricalcium phosphate and we created theoretical models of zinc in substitution of calcium in order to reproduce as well as possible the experimental spectrum. After this study, only two models are coherent with experimental spectrum, zinc in substitution of calcium in site I and zinc in the interstice between the two hydroxydes.

  19. Extended X-ray absorption fine structure of the [Fe]-hydrogenase Hmd active site

    Salomone-Stagni, Marco; Meyer-Klaucke, Wolfram [European Molecular Biology Laboratory (EMBL), Outstation Hamburg, Notkestr. 85, 22603 Hamburg (Germany); Vogt, Sonja; Shima, Seigo, E-mail: wolfram@embl-hamburg.d [Max-Planck-Institut fuer terrestrische Mikrobiologie, Karl-von-Frisch-Strasse, D-35043 Marburg (Germany)

    2009-11-15

    Hydrogenases are enzymes that catalyze the reversible oxidation of molecular hydrogen. Although their structure and catalytic mechanism are of considerable applied interest as models for the development of efficient catalysts for hydrogen fueled processes, the understanding of how hydrogenases react with H{sub 2} is only in its infancy. Two of the three known types of hydrogenases are iron-sulfur proteins that contain a dinuclear metal center, either [NiFe] or [FeFe]. In contrast, [Fe]-hydrogenase is the only mononuclear hydrogenase and thus a perfect system for studying the structural and electronic determinants of these enzymes. Here we summarize recent improvements in modeling based on the EXAFS signal and the geometric structure of this metalloenzyme in its as isolated or reconstituted form. The individual contributions to the EXAFS resulting in two different structural models are presented and discussed. Inspired by the new crystal structure, we show an advanced EXAFS model for the enzyme from Methanothermobacter marburgensis.

  20. Near-edge X-ray absorption fine-structure spectroscopy of naphthalene diimide-thiophene co-polymers

    Gann, Eliot; McNeill, Christopher R., E-mail: christopher.mcneill@monash.edu [Department of Materials Engineering, Monash University, Wellington Road, Clayton, Victoria 3800 (Australia); Szumilo, Monika; Sirringhaus, Henning [Cavendish Laboratory, University of Cambridge, JJ Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Sommer, Michael [Institute of Macromolecular Chemistry, University of Freiburg, Stefan-Meier-Str. 31, 79104 Freiburg (Germany); Maniam, Subashani; Langford, Steven J. [School of Chemistry, Monash University, Wellington Road, Clayton, Victoria 3800 (Australia); Thomsen, Lars [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia)

    2014-04-28

    Near-edge X-ray absorption fine-structure (NEXAFS) spectroscopy is an important tool for probing the structure of conjugated polymer films used in organic electronic devices. High-performance conjugated polymers are often donor-acceptor co-polymers which feature a repeat unit with multiple functional groups. To facilitate better application of NEXAFS spectroscopy to the study of such materials, improved understanding of the observed NEXAFS spectral features is required. In order to examine how the NEXAFS spectrum of a donor-acceptor co-polymer relates to the properties of the sub-units, a series of naphthalene diimide-thiophene-based co-polymers have been studied where the nature and length of the donor co-monomer has been systematically varied. The spectra of these materials are compared with that of a thiophene homopolymer and naphthalene diimide monomer enabling peak assignment and the influence of inter-unit electronic coupling to be assessed. We find that while it is possible to attribute peaks within the π* manifold as arising primarily due to the naphthalene diimide or thiophene sub-units, very similar dichroism of these peaks is observed indicating that it may not be possible to separately probe the molecular orientation of the separate sub-units with carbon K-edge NEXAFS spectroscopy.

  1. Water formation reaction on Pt(111): Near edge x-ray absorption fine structure experiments and kinetic Monte Carlo simulations

    The catalytic water formation reaction was investigated by the energy dispersive near-edge x-ray absorption fine structure (dispersive NEXAFS) spectroscopy. An oxygen covered Pt(111) surface with the (2x2) structure was exposed to gaseous hydrogen (5.0x10-9 Torr) at constant surface temperatures (120-140 K). O K-edge NEXAFS spectra were measured during the reaction with a time interval of 35 s. Quantitative analyses of the spectra provided the coverage changes of the adsorbed species (O, OH, and H2O). The reaction is composed of three steps, which are characterized by an induction period (I), fast increase in coverage of OH and H2O with consuming O (II), and slow conversion of OH to H2O after the complete consumption of O (III). It was also found that the maximum OH coverage becomes smaller at a higher temperature. The kinetic Monte Carlo simulation has reproduced the three characteristic reaction steps; in the first step OH domains are created through two-dimensional aggregation of H2O (I), after the nucleation process the second step sets in where the OH domains propagate by the autocatalytic cycle until they contact with each other (II), and finally the merged OH domains convert to H2O (III). The reaction diffusion method was also applied to this system. It explained the reaction behavior in a wide surface area

  2. Near Edge X-ray Absorption Fine Structure Spectroscopy Studies of Single-Crystalline V2O5 Nanowire Arrays

    Velazquez, J.; Jaye, C; Fischer, D; Banerjee, S

    2009-01-01

    Near edge X-ray absorption fine structure (NEXAFS) spectroscopy is used to precisely probe the alignment, uniformity in crystal growth direction, and electronic structure of single-crystalline V2O5 nanowire arrays prepared by a cobalt-catalyzed vapor transport process. The dipole selection rules operational for core-level electron spectroscopy enable angle-dependent NEXAFS spectroscopy to be used as a sensitive probe of the anisotropy of these systems and provides detailed insight into bond orientation and the symmetry of the frontier orbital states. The experimental spectra are matched to previous theoretical predictions and allow experimental verification of features such as the origin of the split-off conduction band responsible for the semiconducting properties of V2O5 and the strongly anisotropic nature of vanadyl-oxygen-derived (VO) states thought to be involved in catalysis. The strong anisotropy observed across thousands of nanowires in the NEXAFS measurements clearly demonstrates the uniformity of crystal growth direction in these nanowire arrays.

  3. Near-edge X-ray absorption fine-structure spectroscopy of naphthalene diimide-thiophene co-polymers

    Near-edge X-ray absorption fine-structure (NEXAFS) spectroscopy is an important tool for probing the structure of conjugated polymer films used in organic electronic devices. High-performance conjugated polymers are often donor-acceptor co-polymers which feature a repeat unit with multiple functional groups. To facilitate better application of NEXAFS spectroscopy to the study of such materials, improved understanding of the observed NEXAFS spectral features is required. In order to examine how the NEXAFS spectrum of a donor-acceptor co-polymer relates to the properties of the sub-units, a series of naphthalene diimide-thiophene-based co-polymers have been studied where the nature and length of the donor co-monomer has been systematically varied. The spectra of these materials are compared with that of a thiophene homopolymer and naphthalene diimide monomer enabling peak assignment and the influence of inter-unit electronic coupling to be assessed. We find that while it is possible to attribute peaks within the π* manifold as arising primarily due to the naphthalene diimide or thiophene sub-units, very similar dichroism of these peaks is observed indicating that it may not be possible to separately probe the molecular orientation of the separate sub-units with carbon K-edge NEXAFS spectroscopy

  4. Time-Resolved Pump-Probe X-ray Absorption Fine Structure Spectroscopy of Gaq3

    Dicke, Benjamin

    2014-01-01

    Gallium(tris-8-hydroxyquinoline) (Gaq3) belongs to a class of metal organic compounds, usedas electron transport layer and emissive layer in organic light emitting diodes. Many researchactivities have concentrated on the optical and electronic properties, especially of the homologuemolecule aluminum(tris-8-hydroxyquinoline) (Alq3). Knowledge of the first excited state S1structure of these molecules could provide deeper insight into the processes involved into the operationof electronic device...

  5. Reply to open-quote open-quote Comment on open-quote x-ray-absorption fine structure in embedded atoms close-quote close-quote close-quote

    We respond to the previous Comment concerning the evidence for a weak oscillatory structure in the atomic background absorption cross section in x-ray-absorption fine structure (XAFS). We show that improved background calculations which suppress muffin-tin discontinuities still exhibit fine structure comparable to that observed. copyright 1996 The American Physical Society

  6. The forms of trace metals in an Illinois basin coal by x-ray absorption fine structure spectroscopy

    Chou, I.-Ming; Bruinius, J.A.; Lytle, J.M.; Ruch, R.R.; Huggins, Frank E.; Huffman, G.P.; Ho, K.K.

    1997-01-01

    Utilities burning Illinois coals currently do not consider trace elements in their flue gas emissions. After the US EPA completes an investigation on trace elements, however, this may change and flue gas emission standards may be established. The mode of occurrence of a trace element may determine its cleanability and Hue gas emission potential. X-ray Absorption Fine Structure (XAFS) is a spectroscopic technique that can differentiate the mode of occurrence of an element, even at the low concentrations that trace elements are found in coal. This is principally accomplished by comparing the XAFS spectra of a coal to a database of reference sample spectra. This study evaluated the technique as a potential tool to examine six trace elements in an Illinois #6 coal. For the elements As and Zn, the present database provides a definitive interpretation on their mode of occurrence. For the elements Ti, V, Cr, and Mn the database of XAFS spectra of trace elements in coal was still too limited to allow a definitive interpretation. The data obtained on these elements, however, was sufficient to rule out several of the mineralogical possibilities that have been suggested previously. The results indicate that XAFS is a promising technique for the study of trace elements in coal.

  7. Mercury Speciation by X-ray Absorption Fine Structure Spectroscopy and Sequential Chemical Extractions: A Comparison of Speciation Methods

    Kim, C.S.; Bloom, N.S.; Rytuba, J.J.; Brown, Gordon E., Jr.

    2003-01-01

    Determining the chemical speciation of mercury in contaminated mining and industrial environments is essential for predicting its solubility, transport behavior, and potential bioavailability as well as for designing effective remediation strategies. In this study, two techniques for determining Hg speciation-X-ray absorption fine structure (XAFS) spectroscopy and sequential chemical extractions (SCE)-are independently applied to a set of samples with Hg concentrations ranging from 132 to 7539 mg/kg to determine if the two techniques provide comparable Hg speciation results. Generally, the proportions of insoluble HgS (cinnabar, metacinnabar) and HgSe identified by XAFS correlate well with the proportion of Hg removed in the aqua regia extraction demonstrated to remove HgS and HgSe. Statistically significant (> 10%) differences are observed however in samples containing more soluble Hg-containing phases (HgCl2, HgO, Hg3S2O 4). Such differences may be related to matrix, particle size, or crystallinity effects, which could affect the apparent solubility of Hg phases present. In more highly concentrated samples, microscopy techniques can help characterize the Hg-bearing species in complex multiphase natural samples.

  8. Investigation of copper(I) oxide quantum dots by near edge X-ray absorption fine structure spectroscopy

    Copper(I) oxide quantum dots (OQDs) were grown in various thicknesses on different SrTiO3(001) surfaces and were investigated by near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The experimental growth conditions for the OQDs were optimized to obtain Cu2O as the major phase. The OQDs grown on clean SrTiO3(001) surfaces at 825 K and higher with p(O-2) of 9.0 x 10(-7) Torr or greater contain mostly CuO, contrasting to OQDs grown at 800 K with p(O-2) of similar to 7.0 x10(-7) Torr that contain primarily Cu2O. Furthermore, there is a strong interaction between the SrTiO3(001) surface and the first few monolayers of the OQDs, which induces the formation of Cu(II). However, this interaction is mitigated with increasing thickness of OQDs, resulting in the exclusive formation of Cu2O in the top most layers. The influence of the SrTiO3(001) substrate on the formation of OQDs can be minimized by modifying the substrate surface using chemical treatment and/or energetic Au2+ ion-beam irradiation. Examination of the photochemical properties of these OQDs shows that prolonged soft X-ray irradiation under vacuum reduces Cu(II), which is present as a minor impurity in the Cu(I)OQDs

  9. Formation mechanism of Ge nanocrystals embedded in SiO2 studied by fluorescence x-ray absorption fine structure

    Yan Wen-Sheng; Li Zhong-Rui; Sun Zhi-Hu; Pan Zhi-Yun; Wei Shi-Qiang

    2007-01-01

    This paper reports that the Ge nanocrystals embedded in SiO2 matrix are grown on Si(100) and quartz-glass substrates, and the formation mechanism is systematically studied by using fluorescence x-ray absorption fine structure (XAFS). It is found that the formation of Ge nanocrystals strongly depends on the properties of substrate materials. In the as-prepared samples with Ge molar content of 60%, Ge atoms exist in amorphous Ge (about 36%) and GeO2 (about 24%) phases. At the annealing temperature of 1073 K, on the quartz-glass substrate Ge nanocrystals are generated from crystallization of amorphous Ge, rather than from the direct decomposition of GeO2 in the as-deposited sample.However, on the Si(100) substrate, the Ge nanocrystals are generated partly from crystallization of amorphous Ge, and partly from GeO2 phases through the permutation reaction with Si substrate. Quantitative analysis reveals that about 10% of GeO2 in the as-prepared sample are permuted with Si wafer to form Ge nanocrystals.

  10. Local and electronic strictures of Al90FexCe10-x (x = 3, 5, 7) alloys. The analysis of near fine structure of X-ray absorption

    One obtained near fine structure of X-ray absorption Al90FexCe10-x (x = 3, 5, 7) beyond iron K-boundary. One carried out theoretical analysis of these data by method of the total multiple scattering. Comparison of the experimental data with the theoretical results enables to choose the best model of the local structure around iron atoms. The best accord with the experiment is achieved for FeAl6 model at reduction of interatomic distance by 4%. As the dipole matrix element of probability of transition for iron K-boundary is not the function varying abruptly with the energy, the near fine structure of absorption X-ray spectrum beyond iron K-boundary represents the density of iron free p-states within Al90FexCe10-x alloy conductivity range

  11. Applications of x ray absorption fine structure to the in situ study of the effect of cobalt in nickel hydrous oxide electrodes for fuel cells and rechargeable batteries

    Kim, Sunghyun; Tryk, Donald A.; Scherson, Daniel A.; Antonio, Mark R.

    1993-01-01

    Electronic and structural aspects of composite nickel-cobalt hydrous oxides have been examined in alkaline solutions using in situ X-ray absorption fine structure (XAFS). The results obtained have indicated that cobalt in this material is present as cobaltic ions regardless of the oxidation state of nickel in the lattice. Furthermore, careful analysis of the Co K-edge Extended X-ray absorption fine structure data reveals that the co-electrodeposition procedure generates a single phase, mixed metal hydrous oxide, in which cobaltic ions occupy nickel sites in the NiO2 sheet-like layers and not two intermixed phases each consisting of a single metal hydrous oxide.

  12. Fine structure of the CCl3 UV absorption spectrum and CCl3 kinetics

    Ellermann, T.

    1992-01-01

    The UV gas-phase spectrum of CCl3 was recorded in the range 220-300 nm using pulse radiolysis of CHCl3/SF6 or CCl4/Ar gas mixtures. The UV spectrum exhibits a pronounced vibrational fine structure which is assigned to transition into the (C2A1'(3s)) Rydberg state. The vibronic progression has a...

  13. Incorporation of pertechnetate and perrhenate into corroded steel surfaces studied by X-ray absorption fine structure spectroscopy

    Batch reaction experiments and solid-phase characterization analyses were completed to examine the uptake of dissolved perrhenate [Re(VII)] or pertechnetate [Tc(VII)] by A-516 steel coupons that corroded in simulated groundwater solutions or dilute water. The goal was to identify the mechanism(s) that control the uptake of 99Tc by corrosion products on carbon steel in the presence of dilute solutions. X-ray absorption fine structure spectroscopy (XAFS) was used to study the oxidation states of Re and Tc incorporated into the corroded steel coupon surfaces. X-ray fluorescence maps showed that the corroded coupons contain localized regions enriched in Re or Tc. The Re L3 near edge XAFS results for the coupons reacted with Re-spiked waters were consistent with nearly all of the sorbed Re being present as perrhenate and not significantly reduced to Re(IV). Linear combination fits of the extended XAFS signals for the perrhenate and ReIVO2 standards indicate that Re sorbed to the steel coupons corroded in simulated J-13 (a relatively dilute Na-HCO3-CO3 groundwater) and even more dilute waters consists of a maximum of 5 and 10% Re(IV), respectively. The fluorescence results also showed that the Re concentrations increased with increasing time of exposure to the X-ray beam, which suggests that the perrhenate ions are only weakly bonded to the matrix of the corrosion product. In contrast to the Re results, the Tc K edge XAFS results for the coupons reacted in 99Tc-spiked waters indicate that most of the sorbed Tc had been reduced to Tc(IV). The shape of the near edge and extended fine structure is similar to the Tc(IV)-hydrous ferric oxide (HFO) and not the TcO2 . nH2O standard. Differences were noted in the XAFS results for steel coupons reacted with waters spiked with 0.001 vs. 0.1 mmol/L 99Tc in that much more of the sorbed Tc from 0.001 mmol/L 99Tc experiments was in the form of pertechnetate. Comparison of the XAFS results for coupons reacted with 0.001 mmol/L 99Tc

  14. Comment on "Limits on the Time Variation of the Electromagnetic Fine-Structure Constant in the Low Energy Limit from Absorption Lines in the Spectra of Distant Quasars"

    Murphy, Michael T; Flambaum, Victor V

    2007-01-01

    In their Letter [Phys. Rev. Lett. 92, 121302 (2004)] (also [Astron. Astrophys. 417, 853 (2004)]), Srianand et al. analysed optical spectra of heavy-element species in 23 absorption systems along background quasar sight-lines, reporting limits on relative variations in the fine-structure constant: da/a=(-0.06+/-0.06) x 10^{-5}. Here we demonstrate basic flaws in their analysis, using the same data and absorption profile fits, which led to spurious values of da/a and significantly underestimated uncertainties. We conclude that these data and fits offer no stringent test of previous evidence for a varying alpha.

  15. In-situ structural investigation of non-stoichiometric HfO{sub 2-x} films using quick-scanning extended X-ray absorption fine structure

    Liu, Milias, E-mail: milias.liu@pc.rwth-aachen.de [Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, 52056 Aachen (Germany); JARA — Fundamentals of Future Information Technologies (Germany); Leichtweiß, Thomas; Janek, Jürgen [Institute of Physical Chemistry, Justus-Liebig-University Giessen, Heinrich-Buff-Ring 58, 35392 Giessen (Germany); Martin, Manfred [Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, 52056 Aachen (Germany); JARA — Fundamentals of Future Information Technologies (Germany)

    2013-07-31

    In this work, we report our results on the synthesis and structural characterization of hafnium oxide thin films prepared by means of pulsed laser deposition. During the deposition, different gas atmospheres (O{sub 2,} Ar, Ar/H{sub 2}) were used. Electron probe micro analysis and X-ray photoelectron spectroscopy measurements show that films deposited in Ar or Ar/H{sub 2} are oxygen deficient, while films deposited in O{sub 2} are stoichiometric. X-ray diffraction data confirm that the as-prepared films are amorphous and form the monoclinic HfO{sub 2} phase during annealing. In-situ quick-scanning extended X-ray absorption fine structure measurements carried out at elevated temperatures up to 440 °C showed an increase in the Hf–Hf order. From the time-resolved data the crystallization kinetics are extracted and analyzed using the Avrami model. - Highlights: • Thin films of HfO{sub 2-x} were deposited by pulsed laser deposition on glass substrates. • Different gas atmospheres (O{sub 2}, Ar, Ar/H{sub 2}) were used to control the stoichiometry. • Films deposited under reducing conditions are highly non-stoichiometric. • As-prepared films are amorphous but crystallize upon heating up to 440 °C. • Time resolved in-situ X-ray absorption spectroscopy analysis of crystallization.

  16. A combined fit of total scattering and extended x-ray absorption fine structure data for local-structure determination in crystalline materials

    Proffen, Thomas E [Los Alamos National Laboratory; Krayzman, Victor [NIST; Levin, Igor [NIST; Tucker, Matt [ISIS, UK

    2009-01-01

    Reverse Monte Carlo (RMC) refinements of local structure using a simultaneous fit of X-ray/neutron total scattering and extended X-ray absorption fine structure (EXAFS) data were developed to incorporate an explicit treatment of both single- and multiple-scattering contributions to EXAFS. The refinement algorithm, implemented as an extension to the public domain computer software RMCProfile, enables accurate modeling of EXAFS over distances encompassing several coordination shells around the absorbing species. The approach was first tested on Ni, which exhibits extensive multiple scattering in EXAFS, and then applied to perovskite-like SrAl{sub 1/2}Nb{sub 1/2}O{sub 3}. This compound crystal1izes with a cubic double-perovskite structure but presents a challenge for local-structure determination using a total pair-distribution function (PDF) alone because of overlapping peaks of the constituent partial PDFs (e.g. Al-O and Nb-O or Sr-O and O-O). The results obtained here suggest that the combined use of the total scattering and EXAFS data provides sufficient constraints for RMC refinements to recover fine details of local structure in complex perovskites. Among other results, it was found that the probability density distribution for Sr in SrAl{sub 1/2}Nb{sub 1/2}O{sub 3} adopts T{sub d} point-group symmetry for the Sr sites, determined by the ordered arrangement of Al and Nb, as opposed to a spherical distribution commonly assumed in traditional Rietveld refinements.

  17. The structure of the homogeneous oxidation catalyst, Mn(II)-Br(-I)x, in supercritical water: An x-ray absorption fine structure study

    Extended x-ray absorption fine structure (EXAFS) and x-ray absorption near edge structure (XANES) spectroscopies were used to probe the first-shell coordination structure of Mn(II) and Br(-I) ion pairs in supercritical water. This work was performed to clarify why solutions of MnBr2 in supercritical water are known to effectively catalyze the aerobic oxidative synthesis of terephthalic acid from p-xylene. The Mn and Br K-edge spectra were collected at the bending magnet beamline (sector 20) at the Advanced Photon Source, Argonne. The first-shell coordination structure about the Mn(II) ion changes from octahedral at ambient conditions to tetrahedral at supercritical conditions. Under supercritical conditions, the measured bond distances of Mn-OH2 and Mn-Br are 2.11 and 2.46 ?, respectively. Direct contact ion pairs form with about 2 Br(-I) ions present in the first coordination shell of the Mn(II) ion. The structure of dissolved MnBr2, below 1.0 m, changes from essentially [Mn(II)(H2O)6]+2 to [Mn(II)(H2O)2(Br)2] in supercritical water (scH2O). When an excess of a Br(-I) ion is added, the bromide coordination increases and the number of water molecules decreases. The results show that the initial MnBr2 catalyst in scH2O is tetrahedral with two Mn-Br contact ion pairs. The presence of the acetate anion deactivates the catalyst by formation of insoluble MnO

  18. The Core/Shell Structure of CdSe/ZnS Quantum Dots Characterized by X-Ray Absorption Fine Spectroscopy

    2015-01-01

    Understanding the chemical and physical properties of core/shell nanocrystal quantum dots (QDs) is key for their use in light-emission applications. In this paper, a single-step injection-free scalable synthetic method is applied to prepare high-quality core/shell QDs with emission wavelengths of 544 nm, 601 nm, and 634 nm. X-ray absorption fine structure spectra are used to determine the core/shell structure of CdSe/ZnS quantum dots. Moreover, theoretical XANES spectra calculated by FEFF.8.2...

  19. Full-potential theoretical investigations of electron inelastic mean free paths and extended x-ray absorption fine structure in molybdenum

    X-ray absorption fine structure (XAFS) spectroscopy is one of the most robust, adaptable, and widely used structural analysis tools available for a range of material classes from bulk solids to aqueous solutions and active catalytic structures. Recent developments in XAFS theory have enabled high-accuracy calculations of spectra over an extended energy range using full-potential cluster modelling, and have demonstrated particular sensitivity in XAFS to a fundamental electron transport property—the electron inelastic mean free path (IMFP). We develop electron IMFP theory using a unique hybrid model that simultaneously incorporates second-order excitation losses, while precisely accounting for optical transitions dictated by the complex band structure of the solid. These advances are coupled with improved XAFS modelling to determine wide energy-range absorption spectra for molybdenum. This represents a critical test case of the theory, as measurements of molybdenum K-edge XAFS represent the most accurate determinations of XAFS spectra for any material. We find that we are able to reproduce an extended range of oscillatory structure in the absorption spectrum, and demonstrate a first-time theoretical determination of the absorption coefficient of molybdenum over the entire extended XAFS range utilizing a full-potential cluster model. (paper)

  20. 100-picosecond time-resolved X-ray absorption fine structure of Fe{sup II}(1,10-phenanthroline){sub 3}

    Sato, Tokushi; Tomita, Ayana; Koshihara, Shin-ya [Department of Materials Science, Tokyo Institute of Technology (Japan); Nozawa, Shunsuke; Ichiyanagi, Kouhei; Ichikawa, Hirohiko; Adachi, Shin-ichi [Non-Equilibrium Dynamics Project, ERATO, JST (Japan); Chollet, Matthieu [Advanced Photon Source, Argonne, Chicago (United States); Fujii, Hiroshi, E-mail: skoshi@cms.titech.ac.j [Institute for Molecular Science, National Institutes of Natural Sciences (Japan)

    2009-02-01

    Studying photo-induced molecular dynamics in liquid with sub-nanosecond time-resolution and sub-Angstrom spatial resolution gives information for understanding fundamental chemical process in the photo-induced cooperative phenomena of molecular systems and also for developing new materials and devices. Here, we present time-resolved X-ray absorption fine structure on the spin-crossover complex Fe{sup II} tris-(1,10-phenanthroline) dissolved in aqueous solution. We utilized femtosecond laser at 400nm pulse for excitation and 100ps X-ray pulse for probe.

  1. Optical and mechanical design of the extended x-ray absorption fine structure (EXAFS) beam-line at Indus-II synchrotron source

    An extended x-ray absorption fine structure (EXAFS) beam line for x-ray absorption studies using energy dispersive geometry and position sensitive detector is being designed for the INDUS-II Synchrotron source. The beam line would be used for doing x-ray absorption experiments involving measurements of fme structures above the absorption edge of different species of atoms in a material The results of the above experiments would lead to the determination of different important structural parameters of materials viz.. inter-atomic distance. co-ordination number, degree of disorder and radial distribution function etc. The optical design of the beam line has been completed based on the working principle that a single crystal bent in the shape of an ellipse by a crystal bender would act as a dispersing as well as focusing element. The mechanical design of the beam line including the crystal bender has also been completed and discussed here. Calculations have been done to detennine the temperature profile on the different components of the beam line under exposure to synchrotron radiation and proper cooling channels have been designed to bring down the heat load on the components. (author)

  2. Feeling defects in Zircaloy by extended X-ray absorption fine structure and muon spin relaxation analyses

    The defects generated by plastic deformation of Zircaloy by cold rolling and the resulting sub-nanoscopic environment are investigated using results provided by extended X-ray fine structure (EXAFS) spectroscopy and muon spin relaxation (MuSR) analysis. EXAFS allows to visualizing the atomic environment as a function of the induced strain. The defects are deduced from the next neighbour number determined shell per shell by the EXAFS analysis. An additional dimension is added with the study of muon properties in the material, namely the possibility of examining different states of the defect centres over the sub-nanometric scale. Muon spin relaxation analysis provides information about the local order around the muon and about possible muon diffusion in the material. Combining these techniques allows to completing the complex picture yields by the defect creation yielded by plastic deformation due to cold rolling in Zircaloy

  3. Application of x-ray absorption fine structure (XAFS) to local-order analysis in Fe-Cr maghemite-like materials

    Montero-Cabrera, M. E., E-mail: elena.montero@cimav.edu.mx; Fuentes-Cobas, L. E.; Macías-Ríos, E. [Centro de Investigación en Materiales Avanzados, Chihuahua, 31136, México (Mexico); Fuentes-Montero, M. E. [Universidad Autónoma de Chihuahua, Chihuahua, 31000, México (Mexico)

    2015-07-23

    The maghemite-like oxide system γ-Fe{sub 2-x}Cr{sub x}O{sub 3} (x=0.75, 1 and 1.25) was studied by X-ray absorption fine structure (XAFS) and by synchrotron radiation X-ray diffraction (XRD). Measurements were performed at the Stanford Synchrotron Radiation Lightsource at room temperature, at beamlines 2-1, 2-3 and 4-3. High-resolution XRD patterns were processed by means of the Rietveld method. In cases of atoms being neighbors in the Periodic Table, the order/disorder degree of the considered solutions is indiscernible by “normal” (absence of “anomalous scattering”) diffraction experiments. Thus, maghemite-like materials were investigated by XAFS in both Fe and Cr K-edges to clarify, via short-range structure characterization, the local ordering of the investigated system. Athena and Artemis graphic user interfaces for IFEFFIT and FEFF8.4 codes were employed for XAFS spectra interpretation. Pre-edge decomposition and theoretical modeling of X-ray absorption near edge structure (XANES) transitions were performed. By analysis of the Cr K-edge XANES, it has been confirmed that Cr is located in an octahedral environment. Fitting of the extended X-ray absorption fine structure (EXAFS) spectra was performed under the consideration that the central atom of Fe is allowed to occupy octa- and tetrahedral positions, while Cr occupies only octahedral ones. Coordination number of neighboring atoms, interatomic distances and their quadratic deviation average were determined for x=1, by fitting simultaneously the EXAFS spectra of both Fe and Cr K-edges. The results of fitting the experimental spectra with theoretical standards showed that the cation vacancies tend to follow a regular pattern within the structure of the iron-chromium maghemite (FeCrO{sub 3})

  4. Application of x-ray absorption fine structure (XAFS) to local-order analysis in Fe-Cr maghemite-like materials

    The maghemite-like oxide system γ-Fe2-xCrxO3 (x=0.75, 1 and 1.25) was studied by X-ray absorption fine structure (XAFS) and by synchrotron radiation X-ray diffraction (XRD). Measurements were performed at the Stanford Synchrotron Radiation Lightsource at room temperature, at beamlines 2-1, 2-3 and 4-3. High-resolution XRD patterns were processed by means of the Rietveld method. In cases of atoms being neighbors in the Periodic Table, the order/disorder degree of the considered solutions is indiscernible by “normal” (absence of “anomalous scattering”) diffraction experiments. Thus, maghemite-like materials were investigated by XAFS in both Fe and Cr K-edges to clarify, via short-range structure characterization, the local ordering of the investigated system. Athena and Artemis graphic user interfaces for IFEFFIT and FEFF8.4 codes were employed for XAFS spectra interpretation. Pre-edge decomposition and theoretical modeling of X-ray absorption near edge structure (XANES) transitions were performed. By analysis of the Cr K-edge XANES, it has been confirmed that Cr is located in an octahedral environment. Fitting of the extended X-ray absorption fine structure (EXAFS) spectra was performed under the consideration that the central atom of Fe is allowed to occupy octa- and tetrahedral positions, while Cr occupies only octahedral ones. Coordination number of neighboring atoms, interatomic distances and their quadratic deviation average were determined for x=1, by fitting simultaneously the EXAFS spectra of both Fe and Cr K-edges. The results of fitting the experimental spectra with theoretical standards showed that the cation vacancies tend to follow a regular pattern within the structure of the iron-chromium maghemite (FeCrO3)

  5. Identification of B-K near edge x-ray absorption fine structure peaks of boron nitride thin films prepared by sputtering deposition

    Four π* resonance peaks were observed in the B-K near edge x-ray absorption fine structure spectra of boron nitride thin films prepared by magnetron sputtering. In the past, these peaks have been explained as the K-absorption of boron atoms, which are present in environment containing nitrogen vacancies, the number of which is 1-3 corresponding to the three peaks at higher photon energy. However, the authors found that there was a strong correlation between the intensities of these three peaks and that of O-K absorption after wide range scanning and simultaneous measurement of nitrogen and oxygen K-absorptions of the BN films. Therefore, the authors conclude that these three peaks at the higher energy side correspond to boron atoms bound to one-to-three oxygen atoms instead of three nitrogen atoms surrounding the boron atom in the h-BN structure. The result of the first-principles calculation with a simple cluster model supported the validity of this explanation.

  6. Surface Structure and Chemical Switching of Thioctic Acid Adsorbed on Au(111) as Observed Using Near-Edge X-ray Absorption Fine Structure

    Meulenberg, R W; van Buuren, T; Vance, A L; Terminello, L J; Willey, T M; Bostedt, C; Fadley, C S

    2004-01-06

    Thioctic acid (alpha-lipoic acid) is a molecule with a large disulfide-containing base, a short alkyl-chain with four CH{sub 2} units, and a carboxyl termination. Self-assembled monolayer (SAM) films of thioctic acid adsorbed on Au(111) have been investigated with near-edge x-ray absorption fine structure (NEXAFS) spectroscopy and x-ray photoelectron spectroscopy (XPS) to determine film quality, bonding and morphology. Using standard preparation protocols for SAMs, that is, dissolving thioctic acid in ethanol and exposing gold to the solution, results in poor films. These films are highly disordered, contain a mixture of carboxyl and carboxylate terminations, have more than monolayer coverage, and exhibit unbound disulfide. Conversely, forming films by dissolving 1 mmol thioctic acid into 5% acetic acid in ethanol (as previously reported with carboxyl-terminated alkyl-thiols) forms ordered monolayers with small amounts of unbound sulfur. NEXAFS indicates tilted over endgroups with the carboxyl group normal on average 38{sup o} from the surface normal. Slight dichroism in other features indicates alkyl chains statistically more upright than prostrate on the surface. Reflection-absorption Fourier transform infrared (RA-FTIR) spectra indicate hydrogen bonding between neighboring molecules. In such well-formed monolayers, a stark reorientation occurs upon deprotonation of the endgroup by rinsing in a KOH solution. The carboxylate plane normal is now about 66{sup o} from sample normal, a much more upright orientation. Data indicate this reorientation may also cause a more upright orientation to the alkyl portion of the molecules.

  7. X-ray absorption fine structure spectroscopy and X-ray diffraction study of cementitious materials derived from coal combustion by-products

    Cementitious materials derived from coal combustion by-products have been investigated by means of X-ray diffraction (XRD) and S and Ca K-edge X-ray absorption fine structure (XAFS) spectroscopy. The XRD analysis revealed that these materials are a complex mixture of a small amount of quartz [SiO2] and three calcium-bearing compounds: hannebachite [CaSO3·1/2H2O], gypsum [CaSO4·2H2O] and ettringite [(Ca6(Al(OH)6)2(SO4)3·26H2O)]. Analysis of the S XAFS data focused on deconvolution of the X-ray absorption near-edge structure (XANES) regions of the spectra. This analysis established that sulfate and sulfite are the two major sulfur forms, with a minor thiophenic component contained in unburned carbon in the fly ash. Increasing sulfate and decreasing sulfite correlated well with increasing gypsum and ettringite and decreasing hannebachite content in the samples. Different calcium compounds were identified primarily through simple comparison of the Ca K-edge XANES and radial structure functions (RSFs) of the cementitious samples with those of reference compounds. Because of the complex coordination chemistry of calcium in these materials, it was difficult to obtain detailed local atomic environment information around calcium beyond the first Ca-O peak. Analysis of the extended X-ray absorption fine structure (EXAFS) and the RSF gave average Ca-O distances in the range 2.44-2.5 A, with each calcium atom surrounded roughly by eight oxygen atoms. In certain samples, the average Ca-O distances were close to that in ettringite (2.51 A), suggesting that these samples have higher ettringite content. The results of S and Ca K-edges XAFS and the XRD data were in reasonable agreement

  8. Thermal and magnetic anomalies of α-iron: an exploration by extended x-ray absorption fine structure spectroscopy and synchrotron x-ray diffraction

    Boccato, Silvia; Sanson, Andrea; Kantor, Innokenty; Mathon, Olivier; Dyadkin, Vadim; Chernyshov, Dmitry; Carnera, Alberto; Pascarelli, Sakura

    2016-09-01

    The local structure and dynamics of α-iron have been investigated by extended x-ray absorption fine structure (EXAFS) spectroscopy and x-ray diffraction (XRD) in order to shed light on some thermal and magnetic anomalies observed in the last decades. The quantitative EXAFS analysis of the first two coordination shells reveals a peculiar local vibrational dynamics of α-iron: the second neighbor distance exhibits anharmonicity and vibrational anisotropy larger than the first neighbor distance. We search for possible distortions of the bcc structure to justify the unexplained magnetostriction anomalies of α-iron and provide a value for the maximum dislocation of the central Fe atom. No thermal anomalies have been detected from the current XRD data. On the contrary, an intriguing thermal anomaly at about 150 K, ascribed to a stiffening of the Fe–Fe bonds, was found by EXAFS.

  9. Thermal and magnetic anomalies of α-iron: an exploration by extended x-ray absorption fine structure spectroscopy and synchrotron x-ray diffraction.

    Boccato, Silvia; Sanson, Andrea; Kantor, Innokenty; Mathon, Olivier; Dyadkin, Vadim; Chernyshov, Dmitry; Carnera, Alberto; Pascarelli, Sakura

    2016-09-01

    The local structure and dynamics of α-iron have been investigated by extended x-ray absorption fine structure (EXAFS) spectroscopy and x-ray diffraction (XRD) in order to shed light on some thermal and magnetic anomalies observed in the last decades. The quantitative EXAFS analysis of the first two coordination shells reveals a peculiar local vibrational dynamics of α-iron: the second neighbor distance exhibits anharmonicity and vibrational anisotropy larger than the first neighbor distance. We search for possible distortions of the bcc structure to justify the unexplained magnetostriction anomalies of α-iron and provide a value for the maximum dislocation of the central Fe atom. No thermal anomalies have been detected from the current XRD data. On the contrary, an intriguing thermal anomaly at about 150 K, ascribed to a stiffening of the Fe-Fe bonds, was found by EXAFS. PMID:27385480

  10. An X-ray Absorption Fine Structure study of Au adsorbed onto the non-metabolizing cells of two soil bacterial species

    Song, Zhen; Kenney, Janice P.L.; Fein, Jeremy B.; Bunker, Bruce A. (Notre)

    2015-02-09

    Gram-positive and Gram-negative bacterial cells can remove Au from Au(III)-chloride solutions, and the extent of removal is strongly pH dependent. In order to determine the removal mechanisms, X-ray Absorption Fine Structure (XAFS) spectroscopy experiments were conducted on non-metabolizing biomass of Bacillus subtilis and Pseudomonas putida with fixed Au(III) concentrations over a range of bacterial concentrations and pH values. X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) data on both bacterial species indicate that more than 90% of the Au atoms on the bacterial cell walls were reduced to Au(I). In contrast to what has been observed for Au(III) interaction with metabolizing bacterial cells, no Au(0) or Au-Au nearest neighbors were observed in our experimental systems. All of the removed Au was present as adsorbed bacterial surface complexes. For both species, the XAFS data suggest that although Au-chloride-hydroxide aqueous complexes dominate the speciation of Au in solution, Au on the bacterial cell wall is characterized predominantly by binding of Au atoms to sulfhydryl functional groups and amine and/or carboxyl functional groups, and the relative importance of the sulfhydryl groups increases with increasing pH and with decreasing Au loading. The XAFS data for both microorganism species suggest that adsorption is the first step in the formation of Au nanoparticles by bacteria, and the results enhance our ability to account for the behavior of Au in bacteria-bearing geologic systems.

  11. Studies of Mn/GaAs digital alloys using x-ray absorption fine structure and x-ray diffraction methods

    Soo, Y. L.; Kioseoglou, G.; Kim, S.; Chen, X.; Luo, H.; Kao, Y. H.; Sasaki, Y.; Liu, X.; Furdyna, J. K.

    2002-04-01

    Local structure and effective chemical valency of Mn atoms in Mn/GaAs digital alloys have been investigated using the x-ray absorption fine structure techniques. The samples were prepared by molecular-beam epitaxy with different thickness of GaAs layers separating the nominal Mn monolayers. Lattice constants of the digital alloys are found by x-ray diffraction to increase linearly in a very narrow range (about 0.3%) with the Mn/GaAs ratio in the samples. Our data show that Mn atoms in the nominal Mn monolayers actually combine with GaAs to form (Ga, Mn)As alloys with Mn atoms substituting for the Ga sites in GaAs. This result clearly rules out the possibility of dominant MnAs formation.

  12. Portable ultrahigh-vacuum sample storage system for polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy

    Watanabe, Yoshihide, E-mail: e0827@mosk.tytlabs.co.jp; Nishimura, Yusaku F.; Suzuki, Ryo; Beniya, Atsushi; Isomura, Noritake [Toyota Central R& D Labs., Inc., Yokomichi 41-1, Nagakute, Aichi 480-1192 (Japan); Uehara, Hiromitsu; Asakura, Kiyotaka; Takakusagi, Satoru [Catalysis Research Center, Hokkaido University, Kita 21-10, Sapporo, Hokkaido 001-0021 (Japan); Nimura, Tomoyuki [AVC Co., Ltd., Inada 1450-6, Hitachinaka, Ibaraki 312-0061 (Japan)

    2016-03-15

    A portable ultrahigh-vacuum sample storage system was designed and built to investigate the detailed geometric structures of mass-selected metal clusters on oxide substrates by polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy (PTRF-XAFS). This ultrahigh-vacuum (UHV) sample storage system provides the handover of samples between two different sample manipulating systems. The sample storage system is adaptable for public transportation, facilitating experiments using air-sensitive samples in synchrotron radiation or other quantum beam facilities. The samples were transferred by the developed portable UHV transfer system via a public transportation at a distance over 400 km. The performance of the transfer system was demonstrated by a successful PTRF-XAFS study of Pt{sub 4} clusters deposited on a TiO{sub 2}(110) surface.

  13. Composition analysis of a polymer electrolyte membrane fuel cell microporous layer using scanning transmission X-ray microscopy and near edge X-ray absorption fine structure analysis

    George, Michael G.; Wang, Jian; Banerjee, Rupak; Bazylak, Aimy

    2016-03-01

    The novel application of scanning transmission X-ray microscopy (STXM) to the microporous layer (MPL) of a polymer electrolyte membrane fuel cell is investigated. A spatially resolved chemical component distribution map is obtained for the MPL of a commercially available SGL 25 BC sample. This is achieved with near edge X-ray absorption fine structure spectroscopic analysis. Prior to analysis the sample is embedded in non-reactive epoxy and ultra-microtomed to a thickness of 100 nm. Polytetrafluoroethylene (PTFE), carbon particle agglomerates, and supporting epoxy resin distributions are identified and reconstructed for a scanning area of 6 μm × 6 μm. It is observed that the spatial distribution of PTFE is strongly correlated to the carbon particle agglomerations. Additionally, agglomerate structures of PTFE are identified, possibly indicating the presence of a unique mesostructure in the MPL. STXM analysis is presented as a useful technique for the investigation of chemical species distributions in the MPL.

  14. Determination of the Mg occupation site in MOCVD- and MBE-grown Mg-doped InN using X-ray absorption fine-structure measurements

    We analyzed the atomic structure around Mg atoms in MOCVD- and MBE-grown Mg-doped InN using Mg K-edge X-ray absorption fine-structure (XAFS) measurements. Our experimental data closely fit to the simulated data in which Mg atoms occupy the substitutional sites of In atoms. From this result, we conclude that Mg atoms essentially occupy not N atoms sites but In atoms sites, meaning that Mg atoms can act as acceptors in InN. We believe that observations of p-type conductivity are prevented by problems such as carrier compensation and electron accumulation at the surface. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Portable ultrahigh-vacuum sample storage system for polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy

    A portable ultrahigh-vacuum sample storage system was designed and built to investigate the detailed geometric structures of mass-selected metal clusters on oxide substrates by polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy (PTRF-XAFS). This ultrahigh-vacuum (UHV) sample storage system provides the handover of samples between two different sample manipulating systems. The sample storage system is adaptable for public transportation, facilitating experiments using air-sensitive samples in synchrotron radiation or other quantum beam facilities. The samples were transferred by the developed portable UHV transfer system via a public transportation at a distance over 400 km. The performance of the transfer system was demonstrated by a successful PTRF-XAFS study of Pt4 clusters deposited on a TiO2(110) surface

  16. Searching for variations in the fine-structure constant and the proton-to-electron mass ratio using quasar absorption lines

    King, Julian A

    2012-01-01

    (abridged) Quasar absorption lines provide a precise test of the assumed constancy of the fundamental constants of physics. We have investigated potential changes in the fine-structure constant, alpha, and the proton-to-electron mass ratio, mu. The many-multiplet method allows one to use optical fine-structure transitions to constrain (Delta alpha)/alpha at better than the 10^(-5) level. We present a new analysis of 154 quasar absorbers with 0.2 1.6 sub-samples independently yield consistent estimates of the dipole direction, which suggests that the effect is not caused by telescope systematics. We consider a number of systematic effects and show that they are unable to explain the observed dipole effect. We have used spectra of the quasars Q0405-443, Q0347-383 and Q0528-250 from VLT/UVES to investigate the absorbers at z=2.595, 3.025 and 2.811 in these spectra respectively. We find that (Delta mu)/mu=(10.1 +/- 6.6) x 10^(-6), (8.2 +/- 7.5) x 10^(-6) and (-1.4 +/- 3.9) x 10^(-6) in these absorbers respectivel...

  17. Atheoretical study of the oxygen K-edge near-edge X-ray absorption fine structure of N2O/Ir(110)

    Wu Tai-Quan; Zhu Ping; Wang Xin-Yan; Luo Hong-Lei

    2012-01-01

    A multiple-scattering cluster method is employed to calculate the oxygen K-edge near-edge X-ray absorption fine structure of N2O/Ir(ll0) and its monolayer.Two peaks and one weak resonance appear in both cases.The selfconsistent field DV-Xα calculations of the peaks and resonance show that the physical origin of the pre-cdge peak x is different from those of the main peak 1 and the other weak resonance σl.This setup is intrinsic to the N2O monolayer,owing to the interaction between the neighbouring molecular chains in the monolayer and partly to the adsorbed atomic oxygen,according to both the theoretical and experimental data.

  18. Study of Synchrotron Radiation Near-Edge X-Ray Absorption Fine-Structure of Amorphous Hydrogenated Carbon Films at Various Thicknesses

    Sarayut Tunmee

    2015-01-01

    Full Text Available The compositions and bonding states of the amorphous hydrogenated carbon films at various thicknesses were evaluated via near-edge X-ray absorption fine-structure (NEXAFS and elastic recoil detection analysis combined with Rutherford backscattering spectrometry. The absolute carbon sp2 contents were determined to decrease to 65% from 73%, while the hydrogen contents increase from 26 to 33 at.% as the film thickness increases. In addition, as the film thickness increases, the π⁎ (C=C, σ⁎ (C–H, σ⁎ (C=C, and σ⁎ (C≡C bonding states were found to increase, whereas the π⁎ (C≡C and σ⁎ (C–C bonding states were observed to decrease in the NEXAFS spectra. Consequently, the film thickness is a key factor to evaluate the composition and bonding state of the films.

  19. Particle Formation from Pulsed Laser Irradiation of SootAggregates studied with scanning mobility particle sizer, transmissionelectron microscope and near-edge x-ray absorption fine structure.

    Michelsen, Hope A.; Tivanski, Alexei V.; Gilles, Mary K.; vanPoppel, Laura H.; Dansson, Mark A.; Buseck, Peter R.; Buseck, Peter R.

    2007-02-20

    We investigated the physical and chemical changes induced in soot aggregates exposed to laser radiation using a scanning mobility particle sizer, a transmission electron microscope, and a scanning transmission x-ray microscope to perform near-edge x-ray absorption fine structure spectroscopy. Laser-induced nanoparticle production was observed at fluences above 0.12 J/cm(2) at 532 nm and 0.22 J/cm(2) at 1064 nm. Our results indicate that new particle formation proceeds via (1) vaporization of small carbon clusters by thermal or photolytic mechanisms, followed by homogeneous nucleation, (2) heterogeneous nucleation of vaporized carbon clusters onto material ablated from primary particles, or (3) both processes.

  20. Liquid crystal alignment on ion-beam-treated polyimide with a long alkyl side chain: near edge X-ray absorption fine structure spectroscopy analysis.

    Seo, Joo-Hong; Hwang, Soo Won; Song, Dong Han; Shin, Jae Hoon; Yoon, Tae-Hoon; Kim, Jae Chang; Yi, Mi Hye

    2009-02-19

    Liquid crystal alignment on ion-beam-treated polyimides with a long alkyl side chain was investigated using near edge X-ray absorption fine structure (NEXAFS) spectroscopy. The long alkyl side chains and the asymmetric distribution and orientational order of the pi-bonds of the polyimide surface can be determined by analyzing the angular dependent resonance intensities of the NEXAFS measurements. Herein, we demonstrate that the pretilt angle of the LC cell made by our method decreases as more long alkyl side chains are destroyed. Additionally, the tilt direction of the LC molecules can be determined from the asymmetric distribution of pi-bonds of the polyimide created by the ion beam irradiation. PMID:19161281

  1. Multiple-Scattering of Near-Edge x-ray Absorption Fine Structure of Sulphur-Passivated InP(100) Surface

    曹松; 唐景昌; 沈少来; 陈更生; 马丹

    2003-01-01

    We use the multiple-scattering cluster method to calculate the sulphur 1s near-edge x-ray absorption fine structure (NEXAFS) of S-passivated InP(100) surface. The physical origins of the resonances in the NEXAFS have been unveiled. It is shown that the most important resonance is attributed to the photoelectron scattering between the central sulphur and the nearest indium atoms. The studies show that two S-S dimers with the bond lengths of 2.05 A and 3.05 A coexist in the surface, meanwhile the bridge and antibridge site adsorption of single S could not be ruled out. We support the scanning tunnelling microscopy result that the S-passivated InP(100) surface exhibits significant disorder.

  2. Near-edge X-ray absorption fine structure studies of Cr{sub 1−x}M{sub x}N coatings

    Mahbubur Rahman, M. [School of Engineering and Information Technology, Murdoch University, Murdoch, WA 6150 (Australia); Department of Physics, Jahangirnagar University, Savar, Dhaka 1342 (Bangladesh); Duan, Alex [School of Chemistry, The University of Melbourne, Parkville, VIC 3010 (Australia); Jiang, Zhong-Tao, E-mail: Z.Jiang@murdoch.edu.au [School of Engineering and Information Technology, Murdoch University, Murdoch, WA 6150 (Australia); Xie, Zonghan [School of Mechanical Engineering, University of Adelaide, SA 5005 (Australia); School of Engineering, Edith Cowan University, WA 6027 (Australia); Wu, Alex [School of Chemistry, The University of Melbourne, Parkville, VIC 3010 (Australia); Amri, Amun [Department of Chemical Engineering, Riau University, Pekanbaru (Indonesia); Cowie, Bruce [Australian Synchrotron, 800 Blackburn Rd., Clayton, VIC 3168 (Australia); Yin, Chun-Yang [Chemical and Analytical Sciences, Murdoch University, Murdoch, WA 6150 (Australia)

    2013-11-25

    Highlights: •Al or Si is doped on CrN and AlN coatings using magnetron sputtering system. •NEXAFS analysis is conducted to measure the Al and Si K-edges, and chromium L-edge. •Structural evolution of CrN matrix with addition of Al or Si element is investigated. -- Abstract: Cr{sub 1−x}M{sub x}N coatings, with doping concentrations (Si or Al) varying from 14.3 to 28.5 at.%, were prepared on AISI M2 tool steel substrates using a TEER UDP 650/4 closed field unbalanced magnetron sputtering system. Near-edge X-ray absorption fine structure (NEXAFS) characterization was carried out to measure the aluminum and silicon K-edges, as well as chromium L-edge, in the coatings. Two soft X-ray techniques, Auger electron yield (AEY) and total fluorescence yield (TFY), were employed to investigate the surface and inner structural properties of the materials in order to understand the structural evolution of CrN matrix with addition of Al (or Si) elements. Investigations on the local bonding states and grain boundaries of the coatings, using NEXAFS technique, provide significant information which facilitates understanding of the local electronic structure of the atoms and shed light on the origins of the high mechanical strength and oxidation resistance of these technologically important coatings.

  3. Microstructures of Fe77-xNixCu1Nb2P14B6 Soft Magnetic AlloysStudied by X-Ray Absorption Fine Structure

    YIN Shi-Long; BIAN Qing; WEI Shi-Qiang

    2000-01-01

    Local structures of the mechanically alloyed Fe77-xNixCu1Nb2P14B6 soft magnetic materials have been in vestigated by x-ray absorption fine structure. The results show that mechanical alloying (MA) can drive the Fe77-xNixCu1Nb2P14B6 powder mixture to produce amorphous alloy when the atomic concentration of Fe ele ment is about and over 40%. On the contrary, the MA Fe77-xNixCu1Nb2P14B6 is a solid solution with an fcc-like structure in the region of lower Fe atomic concentration (< 22%), preserving a medium-range order around Ni and Fe atoms. Moreover, we have found that the local structure geometry of Fe atom is similar to that of Ni atom for all the MA Fer7-xNixCu1 Nb2P14B6 samples. It indicates that the local structures of Fe and Ni atoms in a Fe77-xNixCu1 Nb2P14B6 sample only depend on the x value of element Ni after ball milling.

  4. Characterization of DPOAE fine structure

    Reuter, Karen; Hammershøi, Dorte

    has recently been demonstrated to exist in low level equal-loudness contours. The character of the DPOAE fine structure depends on several parameters, i.e., level, frequencies, and frequency of the two primaries, but also level and character of the noise floor. The prevalence and character of the fine......The distortion product otoacoustic emission (DPOAE) fine structure is revealed, when measuring DPOAE with a very fine frequency resolution. It is characterized by consistent maxima and minima with notches of up to 20 dB depth. The fine structure is known also from absolute hearing thresholds, and...... structures are highly individual, and till now no standardized method has been suggested for a consistent categorization. In the present paper a method developed for the categorization of fine structures is presented. The method has been used in two previous studies on the prevalence of fine structures, 1...

  5. Extended X-ray absorption fine structure studies of impulsive-type hardening in the heavily Be-doped ZnSe ternaries

    Khan, Shabina; Singh, Pankaja [Barkatullah University, Bhopal (India); Mazher, Javed [Addis Ababa University, Addis Ababa (Ethiopia)

    2014-02-15

    Inherently soft zinc-selenides have been hardened through beryllium doping. High-quality stoichiometric ternaries of Be{sub x}Zn{sub 1-x}Se have been synthesized by using the Bridgeman technique. State-of-art X-ray absorption spectroscopy is performed by varying the concentration of the cationic dopant, Be, from 6% to 55% in the host ZnSe. Extended X-ray absorption fine structure analyses are carried out to study the next-neighbor and next nearest neighbor atomic positions, nature of the substitutional doping, extent of bond length homogeneity, the presence of involuntary contrast among path distances, and the crossover from a soft to a hard character of the ternary with increasing Be concentration. Our results indicate the presence of a non-regular impulsive hardening in the ternary with a disparity at the lower and the higher Be-doping levels, which are discussed vis-a-vis self-accommodation of substitutional dopants in the host lattice.

  6. Extended X-ray absorption fine structure data analysis of copper (II) hydroxamic acid mixed ligand complexes

    The X-ray absorption spectra of copper mixed ligand complexes, having hydroxamic acid as one of the ligands, have been recorded at the K-edge of copper at BL-8 Dispersive EXAFS beamline at the 2.5 GeV INDUS-2 Synchrotron, RRCAT, Indore, India. For the analysis of EXAFS data, crystallographic data of the complex or of its analog is required, which is not available. Hence, for the analysis of EXAFS data, theoretical EXAFS data of the studied complexes have been generated using the EXAFS equation employing computer software program Mathcad. Firstly, the experimental data has been processed using the computer program Athena to obtain the normalized absorption versus energy data. From the experimental EXAFS data, the phase shift parameter (an energy independent constant 5) has been computed using Lytle, Sayers and Stern's (LSS) method. The backscattering amplitude has been taken from the available theoretical tabulations and other parameters have been taken from crystallographic data of the copper metal. Fourier transforms of both the experimental and theoretical data have been computed, and the two Fourier transforms are found to agree with each other for all the complexes. The position of the first peak in the Fourier transform gives the value of the first shell bond length, which is shorter than the actual bond length as a result of energy dependence of the phase factor (δ(k)) in the sine function of the EXAFS equation. Since, the Fourier transform method and LSS method both are uncorrected for phase and other parameters of the EXAFS equation, the present method gives phase uncorrected bond length of the first coordination shell.

  7. Synchrotron radiation photoelectron spectroscopy and near-edge X-ray absorption fine structure study on oxidative etching of diamond-like carbon films by hyperthermal atomic oxygen

    Surface structural changes of a hydrogenated diamond-like carbon (DLC) film exposed to a hyperthermal atomic oxygen beam were investigated by Rutherford backscattering spectroscopy (RBS), synchrotron radiation photoelectron spectroscopy (SR-PES), and near-edge X-ray absorption fine structure (NEXAFS). It was confirmed that the DLC surface was oxidized and etched by high-energy collisions of atomic oxygen. RBS and real-time mass-loss data showed a linear relationship between etching and atomic oxygen fluence. SR-PES data suggested that the oxide layer was restricted to the topmost surface of the DLC film. NEXAFS data were interpreted to mean that the sp2 structure at the DLC surface was selectively etched by collisions with hyperthermal atomic oxygen, and an sp3-rich region remained at the topmost DLC surface. The formation of an sp3-rich layer at the DLC surface led to surface roughening and a reduced erosion yield relative to the pristine DLC surface.

  8. Ge and As x-ray absorption fine structure spectroscopic study of homopolar bonding, chemical order, and topology in Ge-As-S chalcogenide glasses

    The coordination environments of Ge and As atoms in GexAsyS1-x-y glasses with x:y=1:2, 1:1, and 2.5:1 and with wide-ranging S contents have been studied with Ge and As K-edge x-ray absorption fine structure spectroscopy. The coordination numbers of Ge and As atoms are found to be 4 and 3, respectively, in all glasses. The first coordination shells of Ge and As atoms in the stoichiometric and S-excess glasses consist of S atoms only, implying the preservation of chemical order at least over the length scale of the first coordination shell. As-As homopolar bonds are found to appear at low and intermediate levels of S deficiency, whereas Ge-Ge bonds are formed only in strongly S-deficient glasses indicating clustering of metal atoms and violation of chemical order in S-deficient glasses. The composition-dependent variation in chemical order in chalcogenide glasses has been hypothesized to result in topological changes in the intermediate-range structural units. The role of such topological transitions in controlling the structure-property relationships in chalcogenide glasses is discussed

  9. X-ray absorption fine structure and field-dependent specific heat measurements of non-Fermi liquid U3Ni3Sn4

    Although most known non-Fermi-liquid (NFL) materials are structurally or chemically disordered, the role of this disorder remains unclear. In particular, very few systems have been discovered that may be stoichiometric and well ordered. To test whether U3Ni3Sn4 belongs in this latter class, we present measurements of the x-ray absorption fine structure of polycrystalline and single-crystal U3Ni3Sn4 samples that are consistent with no measurable local structural disorder. We also present temperature-dependent specific heat data in applied magnetic fields as high as 8 T that show features that are inconsistent with the antiferromagnetic Griffiths' phase model, but do support the conclusion that a Fermi-liquid/NFL crossover temperature increases with applied field. These results are inconsistent with theoretical explanations that require strong disorder effects, but do support the view that U3Ni3Sn4 is a stoichiometric, ordered material that exhibits NFL behavior, and is best described as being near an antiferromagnetic quantum critical point

  10. Surface loading effects on orthophosphate surface complexation at the goethite/water interface as examined by extended X-ray Absorption Fine Structure (EXAFS) spectroscopy.

    Abdala, Dalton Belchior; Northrup, Paul Andrew; Arai, Yuji; Sparks, Donald Lewis

    2015-01-01

    To investigate the effect of P surface loading on the structure of surface complexes formed at the goethite/water interface, goethite was reacted with orthophosphate at P concentrations of 0.1, 0.2, and 0.8 mmol L(-1) at pH 4.5 for 5 days. The P concentrations were chosen to ensure that P loadings at the surface would allow one to follow the transition between adsorption and surface precipitation. Extended X-ray Absorption Fine Structure (EXAFS) spectra were collected in fluorescence mode at the P K-edge at 2150 eV. The structural parameters were obtained through the fits of the sorption data to single and multiple scattering paths using Artemis. EXAFS analysis revealed a continuum among the different surface complexes, with bidentate mononuclear ((2)E), bidentate binuclear ((2)C) and monodentate mononuclear ((1)V) surface complexes forming at the goethite/water interface under the studied conditions. The distances for P-O (1.51-1.53Å) and P-Fe (3.2-3.3Å for bidentate binuclear and around 3.6Å for mononuclear surface complexes) shells observed in our study were consistent with distances obtained via other spectroscopic techniques. The shortest P-Fe distance of 2.83-2.87Å was indicative of a bidentate mononuclear bonding configuration. The coexistence of different surface complexes or the predominance of one sorption mechanism over others was directly related to surface loading. PMID:25441364

  11. Fluorescence x-ray absorption fine structure studies of Fe-Ni-S and Fe-Ni-Si melts to 1600 K

    Manghnani, M.H.; Hong, X.; Balogh, J.; Amulele, G.; Sekar, M.; Newville, M. (Univ HI); (Univ HI); (Indira Gandhi Centre for Atomic Research); (UofC)

    2008-04-29

    We report Ni K-edge fluorescence x-ray absorption fine structure spectra (XAFS) for Fe{sub 0.75}Ni{sub 0.05}S{sub 0.20} and Fe{sub 0.75}Ni{sub 0.05}Si{sub 0.20} ternary alloys from room temperature up to 1600 K. A high-temperature furnace designed for these studies incorporates two x-ray transparent windows and enables both a vertical orientation of the molten sample and a wide opening angle, so that XAFS can be measured in the fluorescence mode with a detector at 90{sup o} with respect to the incident x-ray beam. An analysis of the Ni XAFS data for these two alloys indicates different local structural environments for Ni in Fe{sub 0.75}Ni{sub 0.05}S{sub 0.20} and Fe{sub 0.75}Ni{sub 0.05}Si{sub 0.20} melts, with more Ni-Si coordination than Ni-S coordination persisting from room temperature through melting. These results suggest that light elements such as S and Si may impact the structural and chemical properties of Fe-Ni alloys with a composition similar to the earth's core.

  12. Searching for variations in the fine-structure constant and the proton-to-electron mass ratio using quasar absorption lines

    King, Julian A.

    2012-02-01

    (abridged) Quasar absorption lines provide a precise test of the assumed constancy of the fundamental constants of physics. We have investigated potential changes in the fine-structure constant, alpha, and the proton-to-electron mass ratio, mu. The many-multiplet method allows one to use optical fine-structure transitions to constrain (Delta alpha)/alpha at better than the 10^(-5) level. We present a new analysis of 154 quasar absorbers with 0.2 1.6 sub-samples independently yield consistent estimates of the dipole direction, which suggests that the effect is not caused by telescope systematics. We consider a number of systematic effects and show that they are unable to explain the observed dipole effect. We have used spectra of the quasars Q0405-443, Q0347-383 and Q0528-250 from VLT/UVES to investigate the absorbers at z=2.595, 3.025 and 2.811 in these spectra respectively. We find that (Delta mu)/mu=(10.1 +/- 6.6) x 10^(-6), (8.2 +/- 7.5) x 10^(-6) and (-1.4 +/- 3.9) x 10^(-6) in these absorbers respectively. A second spectrum of Q0528-250 provides an additional constraint of (Delta mu)/mu=(0.2 +/- 3.2_stat +/- 1.9_sys) x 10^(-6). The weighted mean of these values yields (Delta mu)/mu=(1.7 +/- 2.4) x 10^(-6), the most precise constraint on evolution in mu at z>1.

  13. The Core/Shell Structure of CdSe/ZnS Quantum Dots Characterized by X-Ray Absorption Fine Spectroscopy

    Huijing Wei

    2015-01-01

    Full Text Available Understanding the chemical and physical properties of core/shell nanocrystal quantum dots (QDs is key for their use in light-emission applications. In this paper, a single-step injection-free scalable synthetic method is applied to prepare high-quality core/shell QDs with emission wavelengths of 544 nm, 601 nm, and 634 nm. X-ray absorption fine structure spectra are used to determine the core/shell structure of CdSe/ZnS quantum dots. Moreover, theoretical XANES spectra calculated by FEFF.8.20 are used to determine the structure of Se and S compounds. The QD samples displayed nearly spherical shapes with diameters of approximately 3.4 ± 0.5 nm (634 nm, 4.5 ± 0.4 nm (601 nm, and 5.5 ± 0.5 nm (544 nm. With XANES results and MS calculations, it is indicated that sphalerite ZnS capped with organic sulfur ligands should be the shell structure. Wurtzite CdSe is the main core structure with a Cd-Se bond length of 2.3 Å without phase shift. This means that different emission wavelengths are only due to the crystal size with single-step injection-free synthesis. Therefore, single-step injection-free synthesis could generate a nearly ideal core/shell structure of CdSe/ZnS QDs capped with an organic sulfur ligand.

  14. Local vibrational dynamics of hematite (α-Fe2O3) studied by extended x-ray absorption fine structure and molecular dynamics

    The local vibrational dynamics of hematite (α-Fe2O3) has been investigated by temperature-dependent extended x-ray absorption fine structure spectroscopy and molecular dynamics simulations. The local dynamics of both the short and long nearest-neighbor Fe–O distances has been singled out, i.e., their local thermal expansion and the parallel and perpendicular mean-square relative atomic displacements have been determined, obtaining a partial agreement with molecular dynamics. No evidence of the Morin transition has been observed. More importantly, the strong anisotropy of relative thermal vibrations found for the short Fe–O distance has been related to its negative thermal expansion. The differences between the local dynamics of short and long Fe–O distances are discussed in terms of projection and correlation of atomic motion. As a result, we can conclude that the short Fe–O bond is stiffer to stretching and softer to bending than the long Fe–O bond

  15. Extended X- ray absorption fine structure study at the K-edge of copper in mixed ligand complexes having benzimidazole as one of the ligands

    Hinge, V. K.; Joshi, S. K.; Nitin Nair, N.; Singh Verma, Vikram; Shrivastava, B. D.; Prasad, J.; Srivastava, K.

    2014-09-01

    Extended X-ray absorption fine structure (EXAFS) spectra have been studied at the K-edge of copper in some of its biologically important complexes, viz., [Cu(BzImH)4X2] and [Cu(BzIm)2], where X= Cl, Br, 1/2SO4, ClO4, NO3, and BzIm = Benzimidazolato anion. The spectra have been recorded using a bent crystal 0.4 m Cauchois-type transmission spectrograph. The positions of EXAFS maxima and minima have been used to determine the bond lengths in the complexes with the help of three different methods, namely, Levy's, Lytle's and Lytle, Sayers and Stern's (L.S.S.) methods. The phase uncorrected bond lengths have also been determined from Fourier transforms of the experimental spectra. The results obtained from these methods have been discussed and it has been found that the results obtained by L.S.S. method are comparable with the results obtained by Fourier transformation method and that these two methods give phase uncorrected bond lengths.

  16. Controlled agglomeration of Tb-doped Y2O3 nanocrystals studied by x-ray absorption fine structure, x-ray excited luminescence, and photoluminescence

    Local environment surrounding Y atoms in Y2O3:Tb nanocrystals under various heat treatment conditions has been investigated by using the extended x-ray absorption fine structure (EXAFS) technique. X-ray excited luminescence (XEL) with the incident x-ray energy near Y K edge and Tb L edges has also been measured to investigate the mechanisms of x-ray-to-visible down conversion in these doped nanoparticles. The observed changes in EXAFS, XEL, and photoluminescent data can be explained on the basis of increased average size of the nanoparticles as confirmed by transmission electron microscopy studies. Our results thus demonstrate that the doped nanoparticles can agglomerate to a controllable degree by varying the heat treatment temperature. At higher temperatures, the local environment surrounding Y atoms in the nanoparticles is found to become similar to that in bulk Y2O3 while the XEL output still shows the characteristics of nanocrystals. These results indicate that appropriate heat treatment can afford an effective means to control the intensity and signal-to-background ratio of green luminescence output of these doped nanocrystal phosphors, potentially useful for some device applications. copyright 1999 American Institute of Physics

  17. Transmission electron microscopic and X-ray absorption fine structure spectroscopic investigation of U repartition and speciation after accumulation in renal cells

    Carriere, M.; Milgram, S.; Thiebault, C.; Avoscan, L.; Gouget, B. [CEA Saclay, Lab Pierre Sue, CEA-CNRS, F-91191 Gif sur Yvette, (France); Proux, O. [Univ Joseph Fourier, CNRS, Lab Geophys Interne et Tectonophys, F-38400 Saint Martin d' Heres, (France)

    2008-07-01

    After environmental contamination, U accumulates in the kidneys and in bones, where it causes visible damage. Recent in vitro data prove that the occurrence of citrate increases U bioavailability without changing its speciation. Two hypotheses can explain the role of citrate: it either modifies the U intracellular metabolization pathway, or it acts on the transport of U through cell membrane. To understand which mechanisms lead to increased bioavailability, we studied the speciation of U after accumulation in NRK-52E kidney cells. U speciation was first identified in various exposure media, containing citrate or not, in which U was supplied as U carbonate. The influence of serum proteins was analyzed in order to detect the formation of macromolecular complexes of U. Transmission electron microscopy (TEM) was employed to follow the evolution of the U species distribution among precipitated and soluble forms. Finally, extended X-ray absorption fine structure spectroscopy (EXAFS) enabled the precipitates observed to be identified as U-phosphate. It also demonstrated that the intracellular soluble form of U is U carbonate. These results suggest that citrate does not change U metabolization but rather plays a role in the intracellular accumulation pathway. U speciation inside cells was directly and clearly identified for the first time. These results elucidate the role of U speciation in terms of its bioavailability and consequent health effects. (authors)

  18. Near edge X-ray absorption fine structure study for optimization of hard diamond-like carbon film formation with Ar cluster ion beam

    Diamond-like carbon (DLC) film deposited using C60 vapor with simultaneous irradiation of an Ar cluster ion beam was characterized by a near edge X-ray absorption fine structure (NEXAFS), in order to optimize the hard DLC film deposition conditions. Contents of sp2 orbitals in the films, which were estimated from NEXAFS spectra, are 30% lower than that of a conventional DLC film deposited by a RF plasma method. Those contents were obtained under the flux ratio of the C60 molecules to the Ar cluster ions to range from 1 to 20, at 5keV of Ar cluster ion acceleration energy. Average hardness of the films was 50 GPa under these flux ratios. This hardness was three times higher than that of a conventional DLC film. Furthermore, the lowest sp2 content and above-mentioned high hardness were obtained at room temperature of the substrate when the depositions were performed in the range of the substrate temperature from room temperature to 250degC. (author)

  19. Silver speciation in liver of marine mammals by synchrotron X-ray absorption fine structure and X-ray fluorescence spectroscopies.

    Nakazawa, Emiko; Ikemoto, Tokutaka; Hokura, Akiko; Terada, Yasuko; Kunito, Takashi; Yamamoto, Takahito; Yamada, Tadasu K; Rosas, Fernando C W; Fillmann, Gilberto; Tanabe, Shinsuke; Nakai, Izumi

    2011-06-01

    The chemical form of Ag in the livers of five species of marine mammals was examined using X-ray absorption fine structure (XAFS) and X-ray fluorescence (XRF) spectroscopies. The XAFS analysis suggested that Ag(2)Se was present in the livers of the Franciscana dolphin (Pontoporia blainvillei), Dall's porpoise (Phocoenoides dalli), and Baird's beaked whale (Berardius bairdii), whereas Ag(2)S was present in the livers of the striped dolphin (Stenella coeruleoalba) and pygmy killer whale (Feresa attenuata). XRF spectroscopy results revealed that the distribution patterns of Ag and Se in a thin section of the liver of the Franciscana dolphin were the same; this also implied that Ag was associated with Se in the liver. Thus, the interaction of Ag with Se or S may offer significant protection against the toxicity of Ag in marine mammals. The formation of either Ag(2)Se or Ag(2)S might depend on the Hg levels in the liver. Ag(2)Se was observed in liver samples with relatively high Ag/Hg ratio, whereas liver samples with low Ag/Hg ratio contained Ag(2)S. PMID:21491037

  20. Limits on the time variation of the electromagnetic fine-structure constant in the low energy limit from absorption lines in the spectra of distant quasars

    Srianand, R; Petitjean, P; Aracil, B; Srianand, Raghunathan; Chand, Hum; Petitjean, Patrick; Aracil, Bastien

    2004-01-01

    Most of the successful physical theories rely on the constancy of few fundamental quantities (such as the speed of light, $c$, the fine-structure constant, \\alpha, the proton to electron mass ratio, \\mu, etc), and constraining the possible time variations of these fundamental quantities is an important step toward a complete physical theory. Time variation of \\alpha can be accurately probed using absorption lines seen in the spectra of distant quasars. Here, we present the results of a detailed many-multiplet analysis performed on a new sample of Mg II systems observed in high quality quasar spectra obtained using the Very Large Telescope. The weighted mean value of the variation in \\alpha derived from our analysis over the redshift range 0.4

  1. Extended X-ray absorption fine structure investigation of Sn local environment in strained and relaxed epitaxial Ge1−xSnx films

    We present an extended X-ray absorption fine structure investigation of the local environment of Sn atoms in strained and relaxed Ge1−xSnx layers with different compositions. We show that the preferred configuration for the incorporation of Sn atoms in these Ge1−xSnx layers is that of a α-Sn defect, with each Sn atom covalently bonded to four Ge atoms in a classic tetrahedral configuration. Sn interstitials, Sn-split vacancy complexes, or Sn dimers, if present at all, are not expected to involve more than 2.5% of the total Sn atoms. This finding, along with a relative increase of Sn atoms in the second atomic shell around a central Sn atom in Ge1−xSnx layers with increasing Sn concentrations, suggests that the investigated materials are homogeneous random substitutional alloys. Within the accuracy of the measurements, the degree of strain relaxation of the Ge1−xSnx layers does not have a significant impact on the local atomic surrounding of the Sn atoms. Finally, the calculated topological rigidity parameter a** = 0.69 ± 0.29 indicates that the strain due to alloying in Ge1−xSnx is accommodated via bond stretching and bond bending, with a slight predominance of the latter, in agreement with ab initio calculations reported in literature

  2. Assignment of near-edge x-ray absorption fine structure spectra of metalloporphyrins by means of time-dependent density-functional calculations

    Schmidt, Norman; Fink, Rainer; Hieringer, Wolfgang

    2010-08-01

    The C 1s and N 1s near-edge x-ray absorption fine structure (NEXAFS) spectra of three prototype tetraphenyl porphyrin (TPP) molecules are discussed in the framework of a combined experimental and theoretical study. We employ time-dependent density-functional theory (TDDFT) to compute the NEXAFS spectra of the open- and closed-shell metalloporphyrins CoTPP and ZnTPP as well as the free-base 2HTPP in realistic nonplanar conformations. Using Becke's well-known half-and-half hybrid functional, the computed core excitation spectra are mostly in good agreement with the experimental data in the low-energy region below the appropriate ionization threshold. To make these calculations feasible, we apply a new, simple scheme based on TDDFT using a modified single-particle input spectrum. This scheme is very easy to implement in standard codes and allows one to compute core excitation spectra at a similar cost as ordinary UV/vis spectra even for larger molecules. We employ these calculations for a detailed assignment of the NEXAFS spectra including subtle shifts in certain peaks of the N 1s spectra, which depend on the central coordination of the TPP ligand. We furthermore assign the observed NEXAFS resonances to the individual molecular subunits of the investigated TPP molecules.

  3. Near edge X-ray absorption fine structure study for optimization of hard diamond-like carbon film formation with Ar cluster ion beam

    Kitagawa, T; Kanda, K; Shimizugawa, Y; Toyoda, N; Matsui, S; Yamada, I; Tsubakino, H; Matsuo, J

    2003-01-01

    Diamond-like carbon (DLC) film deposited using C sub 6 sub 0 vapor with simultaneous irradiation of an Ar cluster ion beam was characterized by a near edge X-ray absorption fine structure (NEXAFS), in order to optimize the hard DLC film deposition conditions. Contents of sp sup 2 orbitals in the films, which were estimated from NEXAFS spectra, are 30% lower than that of a conventional DLC film deposited by a RF plasma method. Those contents were obtained under the flux ratio of the C sub 6 sub 0 molecules to the Ar cluster ions to range from 1 to 20, at 5keV of Ar cluster ion acceleration energy. Average hardness of the films was 50 GPa under these flux ratios. This hardness was three times higher than that of a conventional DLC film. Furthermore, the lowest sp sup 2 content and above-mentioned high hardness were obtained at room temperature of the substrate when the depositions were performed in the range of the substrate temperature from room temperature to 250degC. (author)

  4. Polarized total-reflection x-ray absorption fine structure for self-assembled monolayer of zinc porphyrin at air-water interface

    A new x-ray absorption fine structure (XAFS) method is applied to the air-solution interface. Under the total reflection condition, the XAFS method becomes surface sensitive, enabling the self-assembled monolayer of a metal complex at the solution surface to analyze in situ. Furthermore the introduction of two types of linearly polarized x rays allows us to determine the selective orientation of a planar metal complex at the surface. We obtain spectra for a square planar complex, 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato zinc(II) (ZnTPPC) adsorbed on the aqueous solution surface forming a monolayer with two polarized x rays and compared them with spectra of the same compound in a bulk solution and in solid powder. The polarized XAFS spectra exhibit different features leading to the unambiguous conclusion that the plane of the ZnTPPC molecule is oriented parallel to the air-water interface and that there is no coordination to the axial sites of the zinc atom

  5. Near-Edge X-Ray Absorption Fine Structure of Ultrananocrystalline Diamond/Hydrogenated Amorphous Carbon Films Prepared by Pulsed Laser Deposition

    Shinya Ohmagari

    2009-01-01

    Full Text Available The atomic bonding configuration of ultrananocrystalline diamond (UNCD/hydrogenated amorphous carbon (a-C:H films prepared by pulsed laser ablation of graphite in a hydrogen atmosphere was examined by near-edge X-ray absorption fine structure spectroscopy. The measured spectra were decomposed with simple component spectra, and they were analyzed in detail. As compared to the a-C:H films deposited at room substrate-temperature, the UNCD/a-C:H and nonhydrogenated amorphous carbon (a-C films deposited at a substrate-temperature of 550∘C exhibited enhanced π∗ and σ∗C≡C peaks. At the elevated substrate-temperature, the π∗ and σ∗C≡C bonds formation is enhanced while the σ∗C–H and σ∗C–C bonds formation is suppressed. The UNCD/a-C:H film showed a larger σ∗C–C peak than the a-C film deposited at the same elevated substrate-temperature in vacuum. We believe that the intense σ∗C–C peak is evidently responsible for UNCD crystallites existence in the film.

  6. Study of the chemical environment of cerium in low silica calcium aluminosilicate glasses by extended X-ray absorption fine structure (EXAFS)

    Full text. Currently, great attention has been given to rare earth doped optical glasses. These elements by having the 4f shell partially filled exhibit a wealth of sharp fluorescent transitions representing almost every region of the visible and near-infrared portions of the electromagnetic spectrum, being of interest in photonics, when embedded in the glass matrix. In addition cerium oxide possess high hardness and stability to high temperatures, and it has been used in industry in different ways such as catalysts, fuel and solar cells, ultraviolet radiation filters, oxygen sensors and in the polishing of materials. In this context, cerium doped low silica calcium aluminosilicate (LSCA) glasses are considered good candidates for solid state laser active medium due to their good mechanical, optical and thermal properties. Recently it was shown that LSCA glasses doped with cerium oxide is a source of emitting white light, which is of technological applications interest. However it is known that increasing the dopant concentration in the glass matrix, an interaction of rare earth ions takes place leading to a closer proximity between the rare earth ions, and thus a reduction in their quantum efficiency. In this work, the local structure of Cerium in LSCA glasses was characterized by Extended X-Ray Absorption Fine Structure Spectroscopy (EXAFS). The EXAFS and XANES measurements were performed in the Ce LIII-edge at the XAS beam line of LNLS facility (Campinas, Brazil) at room temperature. Structural parameters, coordination numbers (N), interatomic distance (R) and degree of disorder (σ2) were obtained from least squares fitting

  7. Effect of different thickness crystalline SiC buffer layers on the ordering of MgB2 films probed by extended x-ray absorption fine structure

    Extended X-ray absorption fine structure (EXAFS) spectroscopy is a powerful method to investigate the local structure of thin films. Here, we have studied EXAFS of MgB2 films grown on SiC buffer layers. Crystalline SiC buffer layers with different thickness of 70, 100, and 130 nm were deposited on the Al2O3 (0001) substrates by using a pulsed laser deposition method, and then MgB2 films were grown on the SiC buffer layer by using a hybrid physical-chemical vapor deposition technique. Transition temperature of MgB2 film decreased with increasing thickness of SiC buffer layer. However, the Tc dropping went no farther than 100 nm-thick-SiC. This uncommon behavior of transition temperature is likely to be created from electron-phonon interaction in MgB2 films, which is believed to be related to the ordering of MgB2 atomic bonds, especially in the ordering of Mg–Mg bonds. Analysis from Mg K-edge EXAFS measurements showed interesting ordering behavior of MgB2 films. It is noticeable that the ordering of Mg–B bonds is found to decrease monotonically with the increase in SiC thickness of the MgB2 films, while the opposite happens with the ordering in Mg–Mg bonds. Based on these results, crystalline SiC buffer layers in MgB2 films seemingly have evident effects on the alteration of the local structure of the MgB2 film

  8. Systematic Oxidation of Polystyrene by Ultraviolet-Ozone, Characterized by Near-Edge X-ray Absorption Fine Structure and Contact Angle

    Klein,R.; Fischer, D.; Lenhart, J.

    2008-01-01

    The process of implanting oxygen in polystyrene (PS) via exposure to ultraviolet-ozone (UV-O) was systematically investigated using the characterization technique of near-edge X-ray absorption fine structure (NEXAFS). Samples of PS exposed to UV-O for 10-300 s and washed with isopropanol were analyzed using the carbon and oxygen K-edge NEXAFS partial electron yields, using various retarding bias voltages to depth-profile the oxygen penetration into the surface. Evaluation of reference polymers provided a scale to quantify the oxygen concentration implanted by UV-O treatment. We find that ozone initially reacts with the double bonds on the phenyl rings, forming carbonyl groups, but within 1 min of exposure, the ratio of double to single oxygen bonds stabilizes at a lower value. Oxygen penetrates the film with relative ease, creating a fairly uniform distribution of oxygen within at least the first 4 nm (the effective depth probed by NEXAFS here). Before oxygen accumulates in large concentrations, however, it preferentially degrades the uppermost layer of the film by removing oxygenated low-molecular-weight oligomers. The failure to accumulate high concentrations of oxygen is seen in the nearly constant carbon edge jump, the low concentration of oxygen even at 5 min exposure (58% of that in poly(4-acetoxystyrene), the polymer with the most similarities to UV-O-treated PS), and the relatively high contact angles. At 5 min exposure the oxygen concentration contains ca. 7 atomic % oxygen. The oxygen species that are implanted consist predominantly of single O-C bonds and double OC bonds but also include a small fraction of O-H. UV-O treatment leads a plateau after 2 min exposure in the water contact angle hysteresis, at a value of 67 {+-} 2, due primarily to chemical heterogeneity. Annealing above Tg allows oxygenated species to move short distances away from the surface but not diffuse further than 1-2 nm.

  9. Impacts of chemical amendment and plant growth on lead speciation and enzyme activities in a shooting range soil: an x-ray absorption fine structure investigation.

    Hashimoto, Yohey; Matsufuru, Hiroki; Takaoka, Masaki; Tanida, Hajime; Sato, Takeshi

    2009-01-01

    In situ chemical immobilization is a practical remediation technology for metal-contaminated soils because of its capability to reduce cost and environmental impacts. We assessed the immobilization effects of poultry waste amendment and plant growth (Panicum maximum Jacq.) on Pb speciation and enzyme activities in shooting range soils. Soil contaminated with Pb was obtained from the top 20 cm of a shooting range. To evaluate Pb mobility in the soil profile treated with plants and immobilizing amendment, we used large columns filled with Pb-contaminated soil (0-20 cm, surface soils) and non-contaminated soil (20-75 cm, subsurface soils). The column study demonstrated that the amendment reduced the toxicity characteristic leaching procedure-extractable Pb in the surface soil by 90% of the Control soil. Lead mobility from the surface to subsurface profiles was significantly attenuated by plant growth but was promoted by the amendment without plant application. The extended X-ray absorption fine structure analysis revealed that the amendment reduced the proportion of PbCO(3) and Pb-organic complexes and transformed them into a more geochemically stable species of Pb(5)(PO(4))(3)Cl with 30 to 35% of the total Pb species. Applications of plant and amendment increased activities of dehydrogenase and phosphatase in the surface soil with 2.7- and 1.1-fold greater than those in Control, respectively. The use of amendments in combination with plant growth may have potential as an integrated remediation strategy that enables Pb immobilization and soil biological restoration in shooting range soils. PMID:19465717

  10. Incomplete transformations of Pb to pyromorphite by phosphate-induced immobilization investigated by X-ray absorption fine structure (XAFS) spectroscopy.

    Hashimoto, Yohey; Takaoka, Masaki; Oshita, Kazuyuki; Tanida, Hajime

    2009-07-01

    For an accurate assessment of immobilization technologies, it is necessary to illustrate the transformation of target metal species into their final products. The present study employed extended X-ray absorption fine structure (EXAFS) spectroscopy combined with linear combination fitting (LCF) to determine Pb species and their proportions in contaminated soils treated with phosphate amendments. Lead contaminated soils collected from a shooting range were separately treated with calcium phosphate (CP), hydroxyapatite synthesized from ceramic waste (CHA), and incinerated poultry litter (PW). Soils were incubated at 32% water content for 7 and 380 d. The EXAFS-LCF analysis illustrated that Pb speciation in the control soil included organically-complexed phases (Pb(org), 32%), PbO (22%), PbCO(3) (28%), and Pb(3)(CO(3))(2)(OH)(2) (8%). As the incubation period increased, the proportion of chloropyromorphite [Pb(5)(PO(4))(3)Cl] increased from 20% to 27% in CHA and from 19% to 31% in CP soils. The spectra of PW-amended soils were reproduced adequately with a combination of Pb(org), PbO, and chloropyromorphite in the proportion of about 20%, 45%, and 23%, respectively. The effectiveness of amendments on Pb immobilization as indicated by the chloropyromorphite proportion was in the order of CP (31%)>CHA (27%)>PW (23%) after 380 d of incubation. Our study indicates that about 70% of Pb species was not immobilized as a form of chloropyromorphite, and the additional supply of phosphate amendment scarcely promoted chloropyromorphite formation. The EXAFS-LCF approach illustrated that organically-complexed Pb was persistent in all amended soils, suggesting that an enriched soil organic carbon may be an inhibitory factor for pyromorphite transformations. PMID:19467557

  11. Characterization of Functionalized Self-Assembled Monolayers and Surface-Attached Interlocking Molecules Using Near-Edge X-ray Absorption Fine Structure Spectroscopy

    Willey, T; Willey, T

    2004-03-24

    Quantitative knowledge of the fundamental structure and substrate binding, as well as the direct measurement of conformational changes, are essential to the development of self-assembled monolayers (SAMs) and surface-attached interlocking molecules, catenanes and rotaxanes. These monolayers are vital to development of nano-mechanical, molecular electronic, and biological/chemical sensor applications. This dissertation investigates properties of functionalized SAMs in sulfur-gold based adsorbed molecular monolayers using quantitative spectroscopic techniques including near-edge x-ray absorption fine structure spectroscopy (NEXAFS) and x-ray photoelectron spectroscopy (XPS). The stability of the gold-thiolate interface is addressed. A simple model SAM consisting of dodecanethiol adsorbed on Au(111) degrades significantly in less than 24 hours under ambient laboratory air. S 2p and O 1s XPS show the gold-bound thiolates oxidize to sulfinates and sulfonates. A reduction of organic material on the surface and a decrease in order are observed as the layer degrades. The effect of the carboxyl vs. carboxylate functionalization on SAM structure is investigated. Carboxyl-terminated layers consisting of long alkyl-chain thiols vs. thioctic acid with short, sterically separated, alkyl groups are compared and contrasted. NEXAFS shows a conformational change, or chemical switchability, with carboxyl groups tilted over and carboxylate endgroups more upright. Surface-attached loops and simple surface-attached rotaxanes are quantitatively characterized, and preparation conditions that lead to desired films are outlined. A dithiol is often insufficient to form a molecular species bound at each end to the substrate, while a structurally related disulfide-containing polymer yields surface-attached loops. Similarly, spectroscopic techniques show the successful production of a simple, surface-attached rotaxane that requires a ''molecular riveting'' step to hold the

  12. Surface complexation and precipitate geometry for aqueous Zn(II) sorption on ferrihydrite I: X-ray absorption extended fine structure spectroscopy analysis

    Waychunas, G.A.; Fuller, C.C.; Davis, J.A.

    2002-01-01

    "Two-line" ferrihydrite samples precipitated and then exposed to a range of aqueous Zn solutions (10-5 to 10-3 M), and also coprecipitated in similar Zn solutions (pH 6.5), have been examined by Zn and Fe K-edge X-ray absorption spectroscopy. Typical Zn complexes on the surface have Zn-O distances of 1.97(0.2) A?? and coordination numbers of about 4.0(0.5), consistent with tetrahedral oxygen coordination. This contrasts with Zn-O distances of 2.11(.02) A?? and coordination numbers of 6 to 7 in the aqueous Zn solutions used in sample preparation. X-ray absorption extended fine structure spectroscopy (EXAFS) fits to the second shell of cation neighbors indicate as many as 4 Zn-Fe neighbors at 3.44(.04) A?? in coprecipitated samples, and about two Zn-Fe neighbors at the same distance in adsorption samples. In both sets of samples, the fitted coordination number of second shell cations decreases as sorption density increases, indicating changes in the number and type of available complexing sites or the onset of competitive precipitation processes. Comparison of our results with the possible geometries for surface complexes and precipitates suggests that the Zn sorption complexes are inner sphere and at lowest adsorption densities are bidentate, sharing apical oxygens with adjacent edge-sharing Fe(O,OH)6 octahedra. Coprecipitation samples have complexes with similar geometry, but these are polydentate, sharing apices with more than two adjacent edge-sharing Fe(O,OH)6 polyhedra. The results are inconsistent with Zn entering the ferrihydrite structure (i.e., solid solution formation) or formation of other Zn-Fe precipitates. The fitted Zn-Fe coordination numbers drop with increasing Zn density with a minimum of about 0.8(.2) at Zn/(Zn + Fe) of 0.08 or more. This change appears to be attributable to the onset of precipitation of zinc hydroxide polymers with mainly tetrahedral Zn coordination. At the highest loadings studied, the nature of the complexes changes further

  13. Reply to ''Comment on 'Axial oxygen-centered lattice instabilities in YBa2Cu3O7: An application of the analysis of extended x-ray-absorption fine structure in anharmonic systems' ''

    We assert that the one-site Cu(1)-O(4) model, suggested in the Comment by Thomsen and Cardona [Phys. Rev. B 47, 12 320 (1993)] is inconsistent with polarized x-ray-absorption fine-structure and diffraction results. We also show that the two-site Cu(1)-O(4) distribution is not inconsistent with optical measurements, although a rigid double-well modeling of this distribution is [Phys. Rev. Lett. 68, 3236 (1992)

  14. Fine structure constant variation or spacetime anisotropy?

    Recent observations on the quasar absorption spectra supply evidence for the variation of the fine structure constant α. In this paper, we propose another interpretation of the observational data on the quasar absorption spectra: a scenario with spacetime inhomogeneity and anisotropy. Maybe the spacetime is characterized by the Finsler geometry instead of the Riemann one. The Finsler geometry admits fewer symmetries than the Riemann geometry does. We investigate the Finslerian geodesic equations in the Randers spacetime (a special Finsler spacetime). It is found that the cosmological redshift in this spacetime deviates from the one in general relativity. The modification term to the redshift could be generally revealed as a monopole plus dipole function of spacetime locations and directions. We suggest that this modification corresponds to the spatial monopole and dipole of α variation in the quasar absorption spectra. (orig.)

  15. Structural Study of Cu-Deficient Cu2(1-x)ZnSnSe4 Solar Cell Materials by X-ray Diffraction and X-ray Absorption Fine Structure

    Gao, Feng; Yamazoe, Seiji; Maeda, Tsuyoshi; Wada, Takahiro

    2012-10-01

    Cu-poor Cu2(1-x)ZnSnSe4 powders were prepared from elemental powders. The crystal structure of Cu-poor Cu2(1-x)ZnSnSe4 was examined by X-ray diffraction (XRD) and X-ray absorption fine structure (XAFS) analyses. Kesterite-type Cu2(1-x)ZnSnSe4 could be prepared in the range of 0≤x ≤0.0750. The lattice parameters were refined by the Rietveld analysis of X-ray diffraction data. The lattice constants a and c decreased with a decrease in the Cu/(Zn+Sn) ratio. However, there was little change in c/a value. On the other hand, the position of the Se atom (u parameters) changed considerably. The XAFS study showed that the local structure of Sn in Cu2ZnSnSe4 (CZTSe) changed with a decrease in Cu/(Zn+Sn) ratio and the local structural changes in Cu, Zn, or Se could not be clearly observed. These local structural changes around Sn are due to the disordering of Cu, Zn, and Sn atoms. The diffuse reflectance spectra showed that the band gap of Cu2ZnSnSe4 is 0.98 eV and that the band gaps do not depend on Cu/(Zn+Sn) ratio in the range of 0≤x ≤0.0750.

  16. Observations of substorm fine structure

    L. L. Lazutin

    Full Text Available Particle and magnetic field measurements on the CRRES satellite were used, together with geosynchronous satellites and ground-based observations, to investigate the fine structure of a magnetospheric substorm on February 9, 1991. Using the variations in the electron fluxes, the substorm activity was divided into several intensifications lasting about 3–15 minutes each. The two main features of the data were: (1 the intensifications showed internal fine structure in the time scale of about 2 minutes or less. We call these shorter periods activations. Energetic electrons and protons at the closest geosynchronous spacecraft (1990 095 were found to have comparable activation structure. (2 The energetic (>69 keV proton injections were delayed with respect to electron injections, and actually coincided in time with the end of the intensifications and partial returns to locally more stretched field line configuration. We propose that the energetic protons could be able to control the dynamics of the system locally be quenching the ongoing intensification and possibly preparing the final large-scale poleward movement of the activity. It was also shown that these protons originated from the same intensification as the preceeding electrons. Therefore, the substorm instability responsible for the intensifications could introduce a negative feedback loop into the system, creating the observed fine structure with the intensification time scales.

    Key words. Magnetospheric Physics (Storms and substorms.

  17. Surface atomic structures of Fe2O3 nanoparticles coated with cetyltrimethyl ammonium bromide and sodium dodecyl benzene sulphonate:an extended x-ray absorption fine-structure study

    1999-01-01

    Fe2O3 nanoparticles coated with sodium dodecyl benzene sulphonate(DBS)or cetyltrimethyl ammonium bromide(CTAB) were prepared by using a microemulsion method in the system water/toluene.The nanoparticles were characterized by means of transmission electron microscopy and average particle sizes of 5.0nm and 6.0nm were found for DBS-modified and CTAB-modified nanoparticles respectively.The local atomic structures of these iron(Ⅲ) oxide nanoparticles were probed by using the extended x-ray absorption fine-structure technique.Fe K absorption spectra were collected at beam line 4W1B of Beijing Synchrotron Radiation Facility.A structureal model was proposed for describing their atomic structures.The Fe-O bond length at the surface of DBS-coated Fe2O3 nanoparticles was found to be similar to that in bulk Fe2O3.but there was about 0.04A expansion for the CTAB-coated Fe2O3 nanoparticles.On the basis of the model proposed in this paper,the thicknesses of the surface layers were estimated to be 0.5nm and 0.7nm.respectively,for the DBS-coated and CTAB-coated Fe2O3 nanoparticles.The anharmonicity of the atomic vibration and the asymmetry of atom-pair distribution were found to be larger at the surface of the nanoparticles than in the bulk material,while the Debye-Waller factors are almost the same for the surface and the core parts of the nanoparticles.It can be concluded that the atomic structure of the nanoparticle surface is ordered.but the atom-pari distribution is asymmetric.

  18. Optimized end station and operating protocols for reflection extended x-ray absorption fine structure (ReflEXAFS) investigations of surface structure at the European Synchrotron Radiation Facility beamline BM29

    The development of the capability to engineer the surface properties of materials to match specific requirements demands high quality surface characterization techniques. The ideal tool should provide chemically specific structural characterization as well as surface sensitivity and depth profiling. Ideally the characterization method should also be applicable to systems both with and without long range order. X-ray absorption spectroscopy fine structure, when using the standard transmission detection system, provides all this information with the significant exception of surface sensitivity. In contrast, by detecting the reflected instead of the transmitted beam, it encompasses all these requirements because when the incident beam impinges onto a sample surface at glancing angles, in conditions close to the total reflection, only the outermost regions of the system under study are sampled. Such a technique provides information about the local structure as a function of depth as well as thin layer structure in the case of layered samples. Although it is potentially the ideal tool to study surface modified materials, experimental difficulties have hampered its widespread use in the fields of surface and materials sciences. As a solution to the experimental challenges, we provide a detailed description of an appropriate experimental station, the sample requirements, the measuring protocols, and software routines needed to optimize the collection of the data. To illustrate the capabilities of the technique the results obtained for a model multilayer sample are presented and analyzed under the total external reflection approximation

  19. Local structures of mechanically alloyed Fe100—xCux solid soulutions studied by X—ray absorption fine structure

    WenshengYan; YuzhiLi; 等

    2001-01-01

    The local structures of the immiscible Fe100-xCux alloys(x=0,10,20,40,60,80and100)produced by mechanical alloying have been investigated by XAFS.For the Fe100-xCux(x≥40) solid solutions,the local structures around Fe atoms change from bcc structure to fcc one and the Cu atoms maintain the original coordination geometry after milling for 160 hours.On the contrary,the local structures around Cu atoms in both of Fe80Cu20 and Fe90 Cu10 alloys appear a transition from fcc to bcc structure.We found that the Debye-waller factor σof fcc Fe-Cu phase is larger than that of bcc F-Cu phase,and the σ(0.099A°)around Fe atoms is larger than that (0.089A°) of Cu in the Fe100-xCux(x≥40)solid solutions,This suggests that the mechanically alloyed Fe100-xCux supersaturated solid solution is not a homogeneous alloy,and consists of Fe-rich and Cu-rich regions for various compositions.A possible mechanism for bcc-to-fcc and fcc-to-bcc changes in Fe100-xCux solid solutions is discussed in relation to the interdiffusion and transition induced by the ball milling.

  20. Determining biological fine structure by differential absorption of soft x-rays. [Ultrastructural studies of nerve fibers using scanning electron microscopy without need for staining or osmication

    Panessa-Warren, Barbara J.; Warren, John B.

    1979-06-01

    The use of soft x-ray contact microscopy in examining histochemically treated human tissue embedded in plastic and exposed as unstained thin sections is demonstrated. When our preliminary data revealed that we could clearly image not only the histochemical reaction product, but the unstained biological fine structure of the surrounding tissues, we decided to test our hypothesis further and see if we could image unstained biological molecular aggregates as well. For this part of the investigation, we chose to examine hydrated proteoglycan aggregates. Proteoglycans are an essential component of the organic matrix of cartilage, and play a primary role in the retention and maintenance of extracellular water. To avoid any artifacts due to the introduction of exogeneous materials, and examine the proteoglycan aggregates in their hydrated, natural configuration, we made contact x-ray images of isolated proteoglycan aggregates in water.

  1. Effect of oxygen impurities on properties of the ternary superconductor SnMo6S8: Extended x-ray-absorption fine-structure determination of bond distances and local-density cluster calculations

    Electronic structure calculations were performed for clusters representing the Chevrel-phase SnMo6S8, with and without oxygen doping. In order to obtain the local structure around the Sn atom, extended x-ray-absorption fine-structure (EXAFS) measurements were made with synchro- tron radiation. The interatomic distances obtained experimentally were used in the calculations. The effect of oxygen doping on the Moessbauer isomer shift and quadrupole splitting values of 119Sn was investigated theoretically and compared with reported experimental values. The effect of oxygen substitution on the density of states at the Fermi energy of the [Mo6S8]2- cluster was also studied. The results suggest that oxygen doping does not alter significantly the electronic structure of SnMo6S8

  2. The Fe-heme structure of met-indoleamine 2,3-dioxygenase-2 determined by X-ray absorption fine structure

    Aitken, Jade B. [School of Chemistry, The University of Sydney, NSW 2006 (Australia); Australian Synchrotron, Clayton, Victoria 3168 (Australia); Institute of Materials Structure Science, KEK, Tsukuba, Ibaraki 305-0801 (Japan); Austin, Christopher J.D. [School of Chemistry, The University of Sydney, NSW 2006 (Australia); Department of Pathology and Bosch Institute, The University of Sydney, Camperdown, NSW 2006 (Australia); Hunt, Nicholas H.; Ball, Helen J. [Department of Pathology and Bosch Institute, The University of Sydney, Camperdown, NSW 2006 (Australia); Lay, Peter A., E-mail: peter.lay@sydney.edu.au [School of Chemistry, The University of Sydney, NSW 2006 (Australia)

    2014-07-18

    Highlights: • IDO2 is a newly discovered tryptophan metabolising enzyme with a role in immunity. • IDO2’s active site contains a heme moiety for tryptophan binding and catabolism. • EXAFS/XANES analysis provides the first data of an IDO2 Fe-heme environment. • IDO2 Fe-heme exists as a low spin bis(His) form at 10 K; mixed spin-state at RT. - Abstract: Multiple-scattering (MS) analysis of EXAFS data on met-indoleamine 2,3-dioxygenase-2 (IDO2) and analysis of XANES have provided the first direct structural information about the axial donor ligands of the iron center for this recently discovered protein. At 10 K, it exists in a low-spin bis(His) form with Fe–N{sub p}(av) = 1.97 Å, the Fe–N{sub Im} bond lengths of 2.11 Å and 2.05 Å, which is in equilibrium with a high-spin form at room temperature. The bond distances in the low-spin form are consistent with other low-spin hemeproteins, as is the XANES spectrum, which is closer to that of the low-spin met-Lb than that of the high-spin met-Mb. The potential physiological role of this spin equilibrium is discussed.

  3. Fine structure in the fission fragment yields

    Discussed are the most interesting experiments on the fine structure of fission product yields of U, Pu, Th, Cf, Es, Cm, Fr, Np isotopes. Modern comprehension of the fine structure nature in connection with other problems of fission dynamics is considered. It is noted, that the fine structure results from pairing correlations in a nucleus. The conclusion is drawn, that the available set of experimental data is not sufficient to elucidate the fine structure nature

  4. Structural characterization of Bi2Te3 and Sb2Te3 as a function of temperature using neutron powder diffraction and extended X-ray absorption fine structure techniques

    The structure of Bi2Te3 (Seebeck coefficient Standard Reference Material (SRM™ 3451)) and the related phase Sb2Te3 have been characterized as a function of temperature using the neutron powder diffraction (NPD) and the extended X-ray absorption fine structure (EXAFS) techniques. The neutron structural studies were carried out from 20 K to 300 K for Bi2Te3 and from 10 K to 298 K for Sb2Te3. The EXAFS technique for studying the local structure of the two compounds was conducted from 19 K to 298 K. Bi2Te3 and Sb2Te3 are isostructural, with a space group of R3¯m. The structure consists of repeated quintuple layers of atoms, Te2-M-Te1-M-Te2 (where M = Bi or Sb) stacking along the c-axis of the unit cell. EXAFS was used to examine the bond distances and static and thermal disorders for the first three shells of Bi2Te3 and Sb2Te3 as a function of temperature. The temperature dependencies of thermal disorders were analyzed using the Debye and Einstein models for lattice vibrations. The Debye and Einstein temperatures for the first two shells of Bi2Te3 are similar to those of Sb2Te3 within the uncertainty in the data. However, the Debye and Einstein temperatures for the third shell of Bi-Bi are significantly lower than those of the third shell of Sb-Sb. The Einstein temperature for the third shell is consistent with a soft phonon mode in both Bi2Te3 and Sb2Te3. The lower Einstein temperature of Bi-Bi relative to Sb-Sb is consistent with the lower value of thermal conductivity of Bi2Te3 relative to Sb2Te3

  5. Study on accumulation mechanism of cadmium in rice (oriza sativa L.) by micro-XRF imaging and x-ray absorption fine structure analysis utilizing synchrotron radiation

    This paper reports on the distribution of Cd and essential elements in the stems of rice plants, 'Nipponbare' and 'Milyang 23', measured by synchrotron radiation micro-XRF imaging. X-ray absorption near edge structure (XANES) analysis was applied to estimate the chemical forms of Cd in the roots, stems and leaves, aiming to reveal the mechanisms of Cd transport in rice. The results show that the Cd concentration of 'Nipponbare' was found to be higher than that of 'Milyang 23' at the root, although there was no significant difference between these two cultivars at the shoot. In addition, the distribution of Cd and the essential elements inside the plant were clearly revealed by micro-XRF imaging. It was found that Cd was also localized to the bundle. The Cd K-edge XANES analysis indicated that Cd was bound to sulfur in the root for both rice plants. Furthermore, the content of Cd combining with S (Cd-S) in the stem of 'Nipponbare' became 1.5 times higher after exposing to Cd for a long time, while only a slight change in the stem of 'Milyang 23' was found. In contrast with the stem, the leaf of 'Nipponbare' contained a lower Cd-S content than that of the control after a long-term exposure, while that of 'Milyang 23' became higher. In conclusion, the difference in the chemical form of Cd at the shoots affected the different accumulation behaviors of Cd between 'Nipponbare' and 'Milyang 23'. (author)

  6. Limits on the time variation of the electromagnetic fine-structure constant in the low energy limit from absorption lines in the spectra of distant quasars.

    Srianand, R; Chand, H; Petitjean, P; Aracil, B

    2004-03-26

    We present the results of a detailed many-multiplet analysis performed on a new sample of Mg ii systems observed in high quality quasar spectra obtained using the Very Large Telescope. The weighted mean value of the variation in alpha derived from our analysis over the redshift range 0.4quasar absorption line systems. PMID:15089663

  7. Limits on the temporal variation of the fine structure constant, quark masses and strong interaction from quasar absorption spectra and atomic clock experiments

    Flambaum, V V; Thomas, A W; Young, R D

    2004-01-01

    We perform calculations of the dependence of nuclear magnetic moments on quark masses and obtain limits on the variation of $(m_q/\\Lambda_{QCD})$ from recent measurements of hydrogen hyperfine (21 cm) and molecular rotational transitions in quasar absorption systems, atomic clock experiments with hyperfine transitions in H, Rb, Cs, Yb$^+$, Hg$^+$ and optical transition in Hg$^+$. Experiments with Cd$^+$, deuterium/hydrogen, molecular SF$_6$ and Zeeman transitions in $^3$He/Xe are also discussed.

  8. A study of human DPOAE fine structure

    Reuter, Karen; Hammershøi, Dorte

    fine structures are obtained from 74 normalhearing humans using primary levels of L1/L2=65/45 dB. The subjects belong to groups with different age and exposure history. A classification algorithm is developed, which quantifies the fine structure by the parameters ripple place, ripple width, ripple...

  9. Limits on the time variation of the electromagnetic fine-structure constant in the low energy limit from absorption lines in the spectra of distant quasars

    We present the results of a detailed many-multiplet analysis performed on a new sample of Mg ii systems observed in high quality quasar spectra obtained using the Very Large Telescope. The weighted mean value of the variation in α derived from our analysis over the redshift range 0.4≤z≤2.3 is Δα/α=(-0.06±0.06)x10-5. The median redshift of our sample (z≅1.55) corresponds to a look-back time of 9.7 Gyr in the most favored cosmological model today. This gives a 3σ limit, -2.5x10-16≤(Δα/αΔt)≤+1.2x10-16 yr-1, for the time variation of α, that forms the strongest constraint obtained based on high redshift quasar absorption line systems

  10. Iron environment in ferritin with large amounts of phosphate, from Azotobacter vinelandii and horse spleen, analyzed using Extended X-ray Absorption fine Structure (EXAFS)

    The iron core of proteins in the ferritin family displays structural variations that includes phosphate content was well as the number and the degree of ordering of the iron atoms. Earlier studies had shown that ferritin iron cores naturally high in phosphate, e.g., Azotobacter vinelandii (AV) ferritin had decreased long-range order. Here, the influence of phosphate on the local structure around iron in ferritin cores is reported, comparing the EXAFS of AV ferritin, reconstituted ferritin and native horse spleen ferritin. In contrast, when the phosphate content was high in AV ferritin and horse spleen ferritin reconstituted with phosphate, the average iron atom had five to six phosphorus neighbors at 3.17 angstrom. Moreover, the number of detectable iron neighbors was lower when phosphate was high or present during reconstitution and the interatomic distance was longer indicating that some phosphate bridges neighboring iron atoms. However, the decrease in the number of detectable iron-iron neighbors compared to HSF and the higher number of Fe-P interactions relative to Fe-Fe interactions suggest that some phosphate ligands were chain termini, or blocked crystal growth, and/or introduced defects which contributed both to the long-range disorder and to altered redox properties previously observed in AV ferritin

  11. Was the fine-structure constant variable over cosmological time?

    Cosmological variation of the fine-structure constant (α) dependent on the redshifts of quasars. Using the emission (absorption) systems in the spectra of distant quasars, we investigate the effects of the cosmology variability in the value of the fine-structure constant (α) dependent on the redshifts of quasars during the evolution of Universe. We obtain optical spectra of fine-structure transitions in [Ne-III], [Ne-V], [O-III], [O-I], and [S-II] multiplets from a sample of 14 Seyfert 1.5 galaxies in the low-z range. 0.035 2(t)/α2(0) = (0.999965 ± 0.00005529). (authors)

  12. Extended x-ray-absorption fine-structure observation of collinear ordering of Fe-Sn-Fe atoms in the Chevrel-phase superconductor SnFe/sub 0.05/Mo6S8

    Extended x-ray-absorption fine-structure (EXAFS) and x-ray-diffraction studies have been conducted on the Chevrel-phase superconductor SnFe/sub 0.05/Mo6S8. The site symmetry of the iron is found to be similar to that of copper in the high-temperature phase of Cu/sub 1.8/Mo6S8. EXAFS analysis yielded interatomic distances, e.g., Fe-Sn and Fe-S, in this compound. The Fe-S distances are found to be characteristic of iron sulfides (e.g., FeS and Fe7S8). Through the observation of focused multiple scattering, a distance corresponding to a linear array of Fe-Sn-Fe atoms was measured. Iron atoms were found to be situated in two different configurations, one where iron has only a tin neighbor and the other where a linear-chain-like configuration of Fe-Sn-Fe atoms occurs

  13. Cosmological Constant, Fine Structure Constant and Beyond

    Wei, Hao; Li, Hong-Yu; Xue, Dong-Ze

    2016-01-01

    In this work, we consider the cosmological constant model $\\Lambda\\propto\\alpha^{-6}$, which is well motivated from three independent approaches. As is well known, the evidence of varying fine structure constant $\\alpha$ was found in 1998. If $\\Lambda\\propto\\alpha^{-6}$ is right, it means that the cosmological constant $\\Lambda$ should be also varying. In this work, we try to develop a suitable framework to model this varying cosmological constant $\\Lambda\\propto\\alpha^{-6}$, in which we view it from an interacting vacuum energy perspective. We propose two types of models to describe the evolutions of $\\Lambda$ and $\\alpha$. Then, we consider the observational constraints on these models, by using the 293 $\\Delta\\alpha/\\alpha$ data from the absorption systems in the spectra of distant quasars, and the data of type Ia supernovae (SNIa), cosmic microwave background (CMB), baryon acoustic oscillation (BAO). We find that the model parameters can be tightly constrained to the narrow ranges of ${\\cal O}(10^{-5})$ t...

  14. Study of the local distortions of the perovskite system La1-xSrxCoO3 (0≤x≤0.35) using the extended x-ray absorption fine structure technique

    Jiang, Y.; Bridges, F.; Sundaram, N.; Belanger, D. P.; Anderson, I. E.; Mitchell, J. F.; Zheng, H.

    2009-10-01

    We present a temperature-dependent extended x-ray absorption fine structure (EXAFS)/x-ray absorption near edge structure (XANES) investigation of La1-xSrxCoO3 (LSCO) over a wide doping concentration range (0≤x≤0.35) . Five of the samples are nanoparticles ( x=0.15 , 0.20, 0.25, 0.30, and 0.35) and four are bulk powders ( x=0 , 0.15, 0.20, and 0.30). From the EXAFS analysis, we find that the Co-O bonds are well ordered for both bulk and nanoparticle materials and there is no clear evidence for a Jahn-Teller (JT) distortion in the LSCO system (either static or dynamic). The distortion of the Co-O bond with increasing T , parameterized by the width of the pair distribution function (PDF), σ(T) , can easily be modeled using a correlated Debye model with a high correlated Debye temperature ˜800K . There is also no evidence for a step in plots of σ2 vs T . In addition, the very small nonthermal contribution to σ2 for the Co-O (PDF), σstatic2 , sets an upper limit on the extent of any Jahn-Teller distortion at low T . These experiments are inconsistent with the existence of a significant fraction of Co sites with an intermediate spin (IS) state, for which there is a JT active eg electron on the Co atoms. We cannot, however, exclude the possibility of a tiny fraction of sites having a JT distortion or some other (non-JT active) means of producing an IS state. The bulk samples are well ordered out to at least the third neighbors (Co-Co) while the nanoparticles show increased disorder and a reduction in coordination for Co-Co. XANES data are also presented, and, for both bulk and nanoparticle samples, there is essentially no edge shift with increasing Sr concentration. Bond-valence sums also indicate no change in effective Co valence. These results indicate that when holes are introduced via Sr doping, they have little Co(3d) character and the Co configuration remains close to 3d6 ; we argue that the holes have mostly O(2p) character and are localized more on the O

  15. Habitable sphere and fine structure constant

    Kozlovskii, Miroslaw P; Kozlowski, Miroslaw; Marciak-Kozlowska, Janina

    2005-01-01

    Future space missions, TPF and Darwin will focus on searches of signatures of life on extrasolar planets. In this paper we look for model independ definition of the habitable zone. It will be shown that the radius of the habitable sphere depends only on the constants of the Nature. Key words: Habitable sphere, fine structure constant.

  16. Cosmic concordance and the fine structure constant

    Recent measurements of a peak in the angular power spectrum of the cosmic microwave background suggest that the geometry of the universe is close to flat. But if other accepted indicators of cosmological parameters are also correct then the best fit model is marginally closed, with the peak in the spectrum at slightly larger scales than in a flat universe. If these observations persevere, one way they might be reconciled with a flat universe is if the fine structure constant had a lower value at earlier times, which would delay the recombination of electrons and protons and also act to suppress secondary oscillations as observed. We discuss evidence for a few percent increase in the fine structure constant between the time of recombination and the present

  17. Gravitational Interactions and Fine-Structure Constant

    Jentschura, U D; Nandori, I

    2015-01-01

    Electromagnetic and gravitational central-field problems are studied with relativistic quantum mechanics on curved space-time backgrounds. Corrections to the transition current are identified. Analogies of the gravitational and electromagnetic spectra suggest the definition of a gravitational fine-structure constant. The electromagnetic and gravitational coupling constants enter the Einstein-Hilbert-Maxwell Lagrangian. We postulate that the variational principle holds with regard to a global dilation transformation of the space-time coordinates. The variation suggests is consistent with a functional relationship of the form alpha_QED being proportional to alpha_G^(1/2), where alpha_QED is the electrodynamic fine-structure constant, and alpha_G its gravitational analogue.

  18. Cosmological Constant, Fine Structure Constant and Beyond

    Wei, Hao; Zou, Xiao-Bo; Li, Hong-Yu; Xue, Dong-Ze

    2016-01-01

    In this work, we consider the cosmological constant model $\\Lambda\\propto\\alpha^{-6}$, which is well motivated from three independent approaches. As is well known, the evidence of varying fine structure constant $\\alpha$ was found in 1998. If $\\Lambda\\propto\\alpha^{-6}$ is right, it means that the cosmological constant $\\Lambda$ should be also varying. In this work, we try to develop a suitable framework to model this varying cosmological constant $\\Lambda\\propto\\alpha^{-6}$, in which we view...

  19. Fine Structure of 211 Po Alpha Decay

    Recently, a theory based on the Landau-Zener effect was developed intending to describe quantitatively the cluster decay fine structure phenomenon. It was claimed that the same promotion effect can also govern the fine structure in the case of α-decay. This formalism intends to explain the fine structure of α-decay by considering single-particle transitions due to the radial and the rotational couplings. The levels with the same good quantum numbers associated to some symmetries of the system cannot in general intersect, but exhibit quasi-crossings, or pseudo-crossings, or avoided level crossings. The system is characterised by an axial symmetry, therefore the good quantum numbers are the projections of the nucleon spin Ω. The radial coupling causes transitions of the unpaired nucleon near the avoided level crossings. True crossings can also be obtained between levels characterized by different quantum numbers. Generally, the rotational coupling has a maximum strength in the vicinity of the true crossings. Transitions due to both couplings are taken into account in order to explain the excitations of the unpaired nucleon. For a tunnelling velocity of 9 x 106 fm/fs, the ratio between the intensity for transitions to the first excited state and to the ground state was found to be 0.0071 and the obtained ratio of the same parameter between the second excited state and the ground state was 0.0062, in good agreement with experimental data. These calculations suggest that the α-decay fine structure phenomenon can be explained quantitatively by describing the decaying system with molecular models and it can be stated that the quantitative characteristics of this phenomenon are ruled by dynamical effects. (author)

  20. Effect of fine structure on precise diagnostics

    Nowadays, in order to do effective spectroscopy, several experimental conditions force us to describe very precisely the emitter atom. For example, in a tokamak, the cold peripheral plasma emits intense spectral line from hydrogen isotopes broadened by Zeeman and Doppler effect. Under such conditions of low temperatures, we have to take care if fine structure modifies and/or broadens the spectrum. Moreover, under some conditions encountered in Motional Stark effect spectroscopy, asymmetries in the observed spectra could be explained by fine structure effects. Our team has developed since several years a numerical code able to calculate line shape emitted by any kind of atoms perturbed by electric and magnetic fields. This permits to us to explore very large conditions of plasmas. In this poster we will investigate the effect of fine structure on the spectroscopy of deuterium in tokamak edge plasma conditions, as well as in the case of Motional Stark effect. We will consider a wide range of temperatures varying from a few eV to 104 eV, and magnetic field between 0 to 5 Teslas. (author)

  1. Variation of the fine structure constant

    Lipovka, Anton A

    2016-01-01

    In present paper we evaluate the fine structure constant variation which should take place as the Universe is expanded and its curvature is changed adiabatically. This changing of the fine structure constant is attributed to the energy lost by physical system (consist of baryonic component and electromagnetic field) due to expansion of our Universe. Obtained ratio (d alpha)/alpha = 1. 10{-18} (per second) is only five times smaller than actually reported experimental limit on this value. For this reason this variation can probably be measured within a couple of years. To argue the correctness of our approach we calculate the Planck constant as adiabatic invariant of electromagnetic field, from geometry of our Universe in the framework of the pseudo- Riemannian geometry. Finally we discuss the double clock experiment based on Al+ and Hg+ clocks carried out by T. Rosenband et al. (Science 2008). We show that in this particular case there is an error in method and this way the fine structure constant variation c...

  2. Microwave non-resonant absorption in fine cobalt ferrite particles

    Mata-Zamora, M.E. [Depto. Investigacion Aplicada, Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Universidad Nacional Autonoma de Mexico, 04510 (Mexico)]. E-mail: memzamora@yahoo.com.mx; Montiel, H. [Depto. Investigacion Aplicada, Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Universidad Nacional Autonoma de Mexico, 04510 (Mexico); Alvarez, G. [Depto. Metalicos y Ceramicos, Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, 04510 (Mexico); Saniger, J.M. [Depto. Investigacion Aplicada, Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Universidad Nacional Autonoma de Mexico, 04510 (Mexico); Zamorano, R. [Escuela Superior de Fisica y Matematicas, IPN, 07738 (Mexico); Valenzuela, R. [Depto. Metalicos y Ceramicos, Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, 04510 (Mexico)

    2007-09-15

    Cobalt ferrite particles of average crystallite size of 11 nm were obtained by a sol-gel process at 400 deg. C . The powders were annealed at temperatures of 500, 600, 700 and 800 deg. C in air. Derivative microwave power absorption (dP/dH) measurements were carried out as a function of magnetic field (H {sub DC}) at X band (9.4 GHz), in the field range -80-796 kA/m for all annealed temperatures. In order to compare the response of saturation magnetization measurements with high frequency measurements, we calculated the areas inside both the magnetization (A {sub M}) and the absorption hysteresis loops (A {sub LFS}). The dependence of these areas as a function of crystallite size is remarkably similar in both experiments.

  3. Microwave non-resonant absorption in fine cobalt ferrite particles

    Cobalt ferrite particles of average crystallite size of 11 nm were obtained by a sol-gel process at 400 deg. C . The powders were annealed at temperatures of 500, 600, 700 and 800 deg. C in air. Derivative microwave power absorption (dP/dH) measurements were carried out as a function of magnetic field (H DC) at X band (9.4 GHz), in the field range -80-796 kA/m for all annealed temperatures. In order to compare the response of saturation magnetization measurements with high frequency measurements, we calculated the areas inside both the magnetization (A M) and the absorption hysteresis loops (A LFS). The dependence of these areas as a function of crystallite size is remarkably similar in both experiments

  4. The apparent fine-tuning of the cosmological, gravitational and fine structure constants

    Eaves, Laurence

    2016-02-01

    A numerical coincidence relating the values of the cosmological, gravitational and electromagnetic fine structure constants is presented and discussed in relation to the apparent anthropic fine-tuning of these three fundamental constants of nature.

  5. Structural sound absorption in liquid metals

    Present article is devoted to structural sound absorption in liquid metals. The study of sound absorption in liquid metals shown that in all studied objects the structural absorption of sound was observed. The mechanism of structural relaxation in molten metal was revealed.

  6. Further Evidence for Cosmological Evolution of the Fine Structure Constant

    We describe the results of a search for time variability of the fine structure constant α using absorption systems in the spectra of distant quasars. Three large optical data sets and two 21 cm and mm absorption systems provide four independent samples, spanning ∼23% to 87% of the age of the universe. Each sample yields a smaller α in the past and the optical sample shows a 4σ deviation: Δα/α=-0.72±0.18 x 10-5 over the redshift range 0.5< z<3.5 . We find no systematic effects which can explain our results. The only potentially significant systematic effects push Δα/α towards positive values; i.e., our results would become more significant were we to correct for them

  7. Fine-structure constant variability surprises for laboratory atomic spectroscopy and cosmological evolution of quasar spectra

    Bekenstein, J D

    2003-01-01

    Calculation of the Dirac hydrogen atom spectrum in the framework of dynamical fine structure constant (alpha) variability discloses a small departure in the laboratory from Sommerfeld's formula for the fine structure shifts, possibly measurable today. And for a distant object in the universe, the wavelength shift of a spectral line specifically ascribable to cosmological alpha variation is found to depend differently on the quantum numbers than in the conventional view. This last result clashes with the conventional wisdom that an atom's spectrum can change with cosmological time only through evolution of the alpha parameter in the energy eigenvalue formula, and thus impacts on the Webb group's analysis of fine structure intervals in quasar absorption lines (which has been claimed to disclose cosmological alpha evolution). In particular, analyzing together a mix of quasar absorption lines from different fine structure multiplets can bias estimates of cosmological alpha variability.

  8. Fine Structure Constant: Theme With Variations

    Bezerra, V B; Muniz, C R; Tahim, M O; Vieira, H S

    2016-01-01

    In this paper, we study the spatial variation of the fine structure constant $\\alpha$ due to the presence of a static and spherically symmetric gravitational source. The procedure consists of calculating the solution including the energy eigenvalues of a massive scalar field around that source, considering the weak-field regimen, which yields the gravitational analog of the atomic Bohr levels. From this result, we obtain several values for the effective $\\alpha$ by considering some scenarios of semi-classical and quantum gravities. Constraints on the parameters of the involved theories are calculated from astrophysical observations of the white dwarf emission spectra. Such constraints are compared with those ones obtained in the literature.

  9. The Fine Structure Constant and Habitable Planets

    Sandora, McCullen

    2016-01-01

    We use the existence of habitable planets to impose anthropic requirements on the fine structure constant, $\\alpha$. To this effect, we present two considerations that restrict its value to be very near the one observed. The first, that the end product of stellar fusion is iron and not one of its neighboring elements, restricts $\\alpha^{-1}$ to be $145\\pm 50$. The second, that radiogenic heat in the Earth's interior remains adequately productive for billions of years, restricts it to be $145\\pm9$. A connection with the grand unified theory window is discussed, effectively providing a route to probe ultra-high energy physics with upcoming advances in planetary science.

  10. Molecular Eigensolution Symmetry Analysis and Fine Structure

    William G. Harter

    2013-01-01

    Full Text Available Spectra of high-symmetry molecules contain fine and superfine level cluster structure related to J-tunneling between hills and valleys on rovibronic energy surfaces (RES. Such graphic visualizations help disentangle multi-level dynamics, selection rules, and state mixing effects including widespread violation of nuclear spin symmetry species. A review of RES analysis compares it to that of potential energy surfaces (PES used in Born-Oppenheimer approximations. Both take advantage of adiabatic coupling in order to visualize Hamiltonian eigensolutions. RES of symmetric and D2 asymmetric top rank-2-tensor Hamiltonians are compared with Oh spherical top rank-4-tensor fine-structure clusters of 6-fold and 8-fold tunneling multiplets. Then extreme 12-fold and 24-fold multiplets are analyzed by RES plots of higher rank tensor Hamiltonians. Such extreme clustering is rare in fundamental bands but prevalent in hot bands, and analysis of its superfine structure requires more efficient labeling and a more powerful group theory. This is introduced using elementary examples involving two groups of order-6 (C6 and D3~C3v, then applied to families of Oh clusters in SF6 spectra and to extreme clusters.

  11. Angle-resolved photoemission extended fine structure

    Measurements of the Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) from the S(1s) core level of a c(2 x 2)S/Ni(001) are analyzed to determine the spacing between the S overlayer and the first and second Ni layers. ARPEFS is a type of photoelectron diffraction measurement in which the photoelectron kinetic energy is swept typically from 100 to 600 eV. By using this wide range of intermediate energies we add high precision and theoretical simplification to the advantages of the photoelectron diffraction technique for determining surface structures. We report developments in the theory of photoelectron scattering in the intermediate energy range, measurement of the experimental photoemission spectra, their reduction to ARPEFS, and the surface structure determination from the ARPEFS by combined Fourier and multiple-scattering analyses. 202 refs., 67 figs., 2 tabs

  12. Application of relativistic scattering theory of x rays to diffraction anomalous fine structure in Cu

    Arola, E.; Strange, Paul

    1998-01-01

    We apply our recent first-principles formalism of magnetic scattering of circularly polarized x rays to a single Cu crystal. We demonstrate the ability of our formalism to interpret the crystalline environment related near-edge fine structure features in the resonant x-ray scattering spectra at the Cu K absorption edge. We find good agreement between the computed and measured diffraction anomalous fine structure features of the x-ray scattering spectra.

  13. The fine structure of the ionosphere

    D'Angelo, N.; Michelsen, Poul

    1967-01-01

    We consider in this note the excitation of ion-acoustic waves by vertical gradients of density in the ionosphere. The conclusion is reached that the fine structure of the ionosphere is probably affected by the resulting instability, as comparison with observations seems to indicate. Recently, Liu...... and Yeh [1966] have examined the excitation of low-frequency imcompressible waves in an inhomogeneous ionosphere. They find that, below the F-region maximum, there may exist instabilities, the growth rate being given approximately by grho'/rhonu, where g is the gravity, rho is the plasma density, rho......' is its height gradients, and nu is the ion-neutral collision frequency. We have examined the stability of the ionosphere against growth of low-frequency quasielectrostatic waves, taking into account the compressibility of the plasma....

  14. The fine structure constant and numerical alchemy

    Dattoli, Giuseppe

    2010-01-01

    We comment on past and more recent efforts to derive a formula yielding the fine structure constant in terms of integers and transcendent numbers. We analyse these "exoteric" attitudes and describe the myths regarding {\\alpha}, which seems to have very ancient roots, tracing back to Cabbala and to medieval alchemic conceptions. We discuss the obsession for this constant developed by Pauli and the cultural "environment" in which such an "obsession" grew. We also derive a simple formula for {\\alpha} in terms of two numbers {\\pi} and 137 only. The formula we propose reproduces the experimental values up to the last significant digit, it has not any physical motivation and is the result of an alchemic combination of numbers. We make a comparison with other existing formulae, discuss the relevant limits of validity by comparison with the experimental values and discuss a criterion to recover a physical meaning, if existing, from their mathematical properties.

  15. Varying fine-structure and gravitational constants

    A simple relation between the time-dependent fine-structure and gravitational constants of alpha/alpha2 approx G/G is derived from the hypothesis that both of these fundamental constants are related to the more fundamental length scale of nature as in he unified pregauge and pregeometric theory of all fundamental forces. From the latest observation of alpha/alpha = (-1.91 ± 0.54) centre dot 10-15yr-1 by Webb et al., it leads to the prediction of G/G = (-0.154 ± 0.044) centre dot 10-12yr-1, which is not only consistent with the most precise limit of G/G = (-0.6 ± 2.0) centre dot 10-12yr-1 by Thorsett but also feasible for future experimental tests

  16. Characterization of the Cu(Π) and Zn(Π) binding to the Amyloid-β short peptides by both the Extended X-ray Absorption Fine Structure and the Synchrotron Radiation Circular Dichroism spectroscopy

    Alzheimer's disease (AD) is a progressive and devastating neurodegenerative pathology, clinically characterized by dementia, cognitive impairment, personality disorders and memory loss. It is generally accepted that, misfolding of Aβ peptides is the key element in pathogenesis and the secondary structure of Aβ can be changed to major β-strand with reasons unknown yet. Many studies have shown that the misfolding may be linked with some biometals, mainly copper and zinc ions. To characterize interactions of Aβ and metal ions, we utilized both the extended X-ray fine structure spectroscopy (EXAFS) and the synchrotron radiation circular dichroism spectroscopy (SRCD). Aβ (13-22), Aβ (13-21), Aβ (E22G) and Aβ(HH-AA) were selected to study the mechanism of copper and zinc binding to Aβ. We found that Cu interaction with H13 and H14 residues led to the disappearance of the PPΠ, while the Cu binding E22 residue caused a remarkable conformation change to β-sheet enrichment. The Zn ion, in contrast, made little effect on the conformation and it coordinated to only one histidine (H residue) or not.

  17. Characterization of the Cu(Π) and Zn(Π) binding to the Amyloid-β short peptides by both the Extended X-ray Absorption Fine Structure and the Synchrotron Radiation Circular Dichroism spectroscopy

    Zhang, Zhiyin; Sun, Shuaishuai; Xu, Jianhua; Zhang, Jing; Huang, Yan; Zhang, Bingbing; Tao, Ye

    2013-04-01

    Alzheimer's disease (AD) is a progressive and devastating neurodegenerative pathology, clinically characterized by dementia, cognitive impairment, personality disorders and memory loss. It is generally accepted that, misfolding of Aβ peptides is the key element in pathogenesis and the secondary structure of Aβ can be changed to major β-strand with reasons unknown yet. Many studies have shown that the misfolding may be linked with some biometals, mainly copper and zinc ions. To characterize interactions of Aβ and metal ions, we utilized both the extended X-ray fine structure spectroscopy (EXAFS) and the synchrotron radiation circular dichroism spectroscopy (SRCD). Aβ (13-22), Aβ (13-21), Aβ (E22G) and Aβ(HH-AA) were selected to study the mechanism of copper and zinc binding to Aβ. We found that Cu interaction with H13 and H14 residues led to the disappearance of the PPΠ, while the Cu binding E22 residue caused a remarkable conformation change to β-sheet enrichment. The Zn ion, in contrast, made little effect on the conformation and it coordinated to only one histidine (H residue) or not.

  18. Fine structure study on low concentration zinc substituted hydroxyapatite nanoparticles

    Hu, Wei [Advanced Biomaterials and Tissue Engineering Center, Huazhong University of Science and Technology, Wuhan 430074 (China); Ma, Jun, E-mail: caltary@gmail.com [Advanced Biomaterials and Tissue Engineering Center, Huazhong University of Science and Technology, Wuhan 430074 (China); Department of Biomedical Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Wang, Jianglin [Advanced Biomaterials and Tissue Engineering Center, Huazhong University of Science and Technology, Wuhan 430074 (China); Zhang, Shengmin, E-mail: smzhang@mail.hust.edu.cn [Advanced Biomaterials and Tissue Engineering Center, Huazhong University of Science and Technology, Wuhan 430074 (China); China-Korea Center for Biomaterials and Nano-biotechnology, Life Science Building, 1037 Luoyu Road, Wuhan 430074 (China); Department of Biomedical Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China)

    2012-12-01

    The fine structure of zinc substituted hydroxyapatite was studied using experimental analysis and first-principles calculations. The synthetic hydroxyapatite nanoparticles containing low Zn concentration show rod-like morphology. The crystallite sizes and unit-cell volumes tended to decrease with the increased Zn concentration according to X-ray diffraction patterns. The Zn K-edge X-ray absorption spectra and fitting results suggest that the hydroxyapatite doped with 0.1 mole% zinc is different in the zinc coordination environments compared with that containing more zinc. The density function theory calculations were performed on zinc substituted hydroxyapatite. Two mechanisms included replacing calcium by zinc and inserting zinc along the hydroxyl column and were investigated, and the related substitution energies were calculated separately. It is found that the substitution energies are negative and lowest for inserting zinc between the two oxygen atoms along the hydroxyl column (c-axis). Combined with the spectral analysis, it is suggested that the inserting mechanism is favored for low concentration zinc substituted hydroxyapatite. Highlights: Black-Right-Pointing-Pointer We investigate the fine structure of hydroxyapatite with low content of Zn. Black-Right-Pointing-Pointer XANES spectra are similar but a little different at low zinc content. Black-Right-Pointing-Pointer Zinc ions influence hydroxyapatite crystal formation and lattice parameters. Black-Right-Pointing-Pointer Formation energies are calculated according to plane-wave density function theory. Black-Right-Pointing-Pointer Low content of zinc prefers to locate at hydroxyl column in hydroxyapatite lattice.

  19. Fine structure study on low concentration zinc substituted hydroxyapatite nanoparticles

    The fine structure of zinc substituted hydroxyapatite was studied using experimental analysis and first-principles calculations. The synthetic hydroxyapatite nanoparticles containing low Zn concentration show rod-like morphology. The crystallite sizes and unit-cell volumes tended to decrease with the increased Zn concentration according to X-ray diffraction patterns. The Zn K-edge X-ray absorption spectra and fitting results suggest that the hydroxyapatite doped with 0.1 mole% zinc is different in the zinc coordination environments compared with that containing more zinc. The density function theory calculations were performed on zinc substituted hydroxyapatite. Two mechanisms included replacing calcium by zinc and inserting zinc along the hydroxyl column and were investigated, and the related substitution energies were calculated separately. It is found that the substitution energies are negative and lowest for inserting zinc between the two oxygen atoms along the hydroxyl column (c-axis). Combined with the spectral analysis, it is suggested that the inserting mechanism is favored for low concentration zinc substituted hydroxyapatite. Highlights: ► We investigate the fine structure of hydroxyapatite with low content of Zn. ► XANES spectra are similar but a little different at low zinc content. ► Zinc ions influence hydroxyapatite crystal formation and lattice parameters. ► Formation energies are calculated according to plane-wave density function theory. ► Low content of zinc prefers to locate at hydroxyl column in hydroxyapatite lattice.

  20. An Einstein-Cartan Fine Structure Constant Definition

    Stone R. A. Jr.

    2010-01-01

    Full Text Available The fine structure constant definition given in Stone R.A. Jr. Progress in Physics, 2010, v.1, 11-13 is compared to an Einstein-Cartan fine structure constant definition. It is shown that the Einstein-Cartan definition produces the correct pure theory value, just not the measure value. To produce the measured value, the pure theory Einstein-Cartan fine structure constant requires only the new variables and spin coupling of the fine structure constant definition in [1].

  1. Fine structure of charge exchange lines observed in laboratory plasmas

    Ida, K.; Nishimura, S. [National Inst. for Fusion Science, Nagoya (Japan); Kondo, K.

    1997-01-01

    The influence of the fine structure of charge exchange lines appears only at the plasma edge or in the recombining phase where the ion temperature is low enough. The observed spectra in Li III and C VI are consistent with the sum of fine-structure components populated by statistical weights (assuming complete l-mixing) not by direct charge exchange cross sections. Some discrepancy was observed in the intensity ratio of fine-structure components between the observation and calculation for C VI in the recombining phase. The fine-structure of charge exchange lines gives an apparent Doppler shift in plasma rotation velocity measurement using charge exchange spectroscopy. (author)

  2. Fine velocity structures collisional dissipation in plasmas

    Pezzi, Oreste; Valentini, Francesco; Veltri, Pierluigi

    2016-04-01

    In a weakly collisional plasma, such as the solar wind, collisions are usually considered far too weak to produce any significant effect on the plasma dynamics [1]. However, the estimation of collisionality is often based on the restrictive assumption that the particle velocity distribution function (VDF) shape is close to Maxwellian [2]. On the other hand, in situ spacecraft measurements in the solar wind [3], as well as kinetic numerical experiments [4], indicate that marked non-Maxwellian features develop in the three-dimensional VDFs, (temperature anisotropies, generation of particle beams, ring-like modulations etc.) as a result of the kinetic turbulent cascade of energy towards short spatial scales. Therefore, since collisional effects are proportional to the velocity gradients of the VDF, the collisionless hypothesis may fail locally in velocity space. Here, the existence of several characteristic times during the collisional relaxation of fine velocity structures is investigated by means of Eulerian numerical simulations of a spatially homogeneous force-free weakly collisional plasma. The effect of smoothing out velocity gradients on the evolution of global quantities, such as temperature and entropy, is discussed, suggesting that plasma collisionality can increase locally due to the velocity space deformation of the particle velocity distribution. In particular, by means of Eulerian simulations of collisional relaxation of a spatially homogeneous force-free plasma, in which collisions among particles of the same species are modeled through the complete Landau operator, we show that the system entropy growth occurs over several time scales, inversely proportional to the steepness of the velocity gradients in the VDF. We report clear evidences that fine velocity structures are dissipated by collisions in a time much shorter than global non-Maxwellian features, like, for example, temperature anisotropies. Moreover we indicate that, if small-scale structures

  3. The Fine Structure Lines of Hydrogen in HII Regions

    Dennison, B; Minter, A H; Dennison, Brian; Minter, Anthony H.

    2005-01-01

    The 2s_{1/2} state of hydrogen is metastable and overpopulated in HII regions. In addition, the 2p states may be pumped by ambient Lyman-alpha radiation. Fine structure transitions between these states may be observable in HII regions at 1.1 GHz (2s_{1/2}-2p_{1/2}) and/or 9.9 GHz (2s_{1/2}-2p_{3/2}), although the details of absorption versus emission are determined by the relative populations of the 2s and 2p states. The n=2 level populations are solved with a parameterization that allows for Lyman-alpha pumping of the 2p states. The density of Lyman-alpha photons is set by their creation rate, easily determined from the recombination rate, and their removal rate. Here we suggest that the dominant removal mechanism of Lyman-alpha radiation in HII regions is absorption by dust. This circumvents the need to solve the Lyman-alpha transfer problem, and provides an upper limit to the rate at which the 2p states are populated by Lyman-alpha photons. In virtually all cases of interest, the 2p states are predominantl...

  4. Absorption enhancement in graphene photonic crystal structures.

    Khaleque, Abdul; Hattori, Haroldo T

    2016-04-10

    Graphene, a single layer of carbon atoms arranged in a honeycomb lattice, is attracting significant interest because of its potential applications in electronic and optoelectronic devices. Although graphene exhibits almost uniform absorption within a large wavelength range, its interaction with light is weak. In this paper, the enhancement of the optical absorption in graphene photonic crystal structures is studied: the structure is modified by introducing scatterers and mirrors. It is shown that the absorption of the graphene photonic crystal structure can be enhanced about four times (nearly 40%) with respect to initial reference absorption of 9.8%. The study can be a useful tool for investigating graphene physics in different optical settings. PMID:27139857

  5. Polarization dependent diffraction anomalous fine structure of rutile TiO2 001 and 111 reflections

    Energy and polarization dependent Diffraction Anomalous Fine Structure (DAFS) also known as Anisotropic Anomalous Scattering (AAS) can be employed in addition to X-ray Absorption Fine Structure (XAFS) to study electronic transitions from core states to unoccupied states. Here, we present results from resonant X-ray diffraction experiments on TiO2 rutile, space group (136) P42/mnm. For this model structure, site symmetry information was extracted from determination of the structure factor tensor by refining elements of Ti atomic scattering factor tensors. Influences of oxygen vacancies on the anomalous scattering contributions have been studied on a series of rutile wafers of different oxygen concentration. Samples investigated were 10 x 10 x 1 mm3 single crystal wafers and experiments were carried out at DESY/HASYLAB beamlines C and E2 using a Si(111) double crystal monochromator in the vicinity of the Ti-K absorption edge. Considered reflections include the 'forbidden' 001 and allowed 111 reflection.

  6. Atomic fine structure in a space of constant curvature

    Bessis, N.; Bessis, G.; Shamseddine, R. (Lyon-1 Univ., 69 - Villeurbanne (France))

    1982-10-01

    As a contribution to a tentative formulation of atomic physics in a curved space, the determination of atomic fine structure energies in a space of constant curvature is investigated. Starting from the Dirac equation in a curved space-time, the analogue of the Pauli equation in a general coordinate system is derived. The theoretical curvature induced shifts and splittings of the fine structure energy levels are put in evidence and examined for the particular case of the hydrogenic n=2 levels.

  7. Fundamental Nature of the Fine-Structure Constant

    Sherbon, Michael A.

    2014-01-01

    Arnold Sommerfeld introduced the fine-structure constant that determines the strength of the electromagnetic interaction. Following Sommerfeld, Wolfgang Pauli left several clues to calculating the fine-structure constant with his research on Johannes Kepler's view of nature and Pythagorean geometry. The Laplace limit of Kepler's equation in classical mechanics, the Bohr-Sommerfeld model of the hydrogen atom and Julian Schwinger's research enable a calculation of the electron magne...

  8. Atomic fine structure in a space of constant curvature

    As a contribution to a tentative formulation of atomic physics in a curved space, the determination of atomic fine structure energies in a space of constant curvature is investigated. Starting from the Dirac equation in a curved space-time, the analogue of the Pauli equation in a general coordinate system is derived. The theoretical curvature induced shifts and splittings of the fine structure energy levels are put in evidence and examined for the particular case of the hydrogenic n=2 levels. (author)

  9. Intestinal absorption of specific structured triacylglycerols

    Mu, Huiling; Høy, Carl-Erik

    2001-01-01

    To clarify the intestinal absorption pathway of medium-chain fatty acids from MMM-type structured triaclyglycerols containing both medium- and long-chain fatty acids, we studied the lymphatic transport of 1,3-dioctanoyl-2-linoleoyl-sn- glycerol (8:0/18:2/8:0), 1,3-didecanoyl-2-linoleoyl...... activated into CoA, and reacylated into triacylglycerols in the enterocyte, The hydrolysis of MLM-type STAG is predominantly partial hydrolysis, whereas part of the STAG can also be hydrolyzed to free glycerol and free fatty acids. - Mu, H., and CE. Hoy. Intestinal absorption of specific structured...

  10. Preliminary optical design of a varied line-space spectrograph for the multi-channel detection of near-edge X-ray absorption fine structure (NEXAFS) spectra in the 280-550 eV energy range

    Wheeler, B.S.; McKinney, W.R.; Hussain, Z.; Padmore, H.

    1996-07-01

    The optical design of a varied line-space spectrograph for the multi-channel recording of NEXAFS spectra in a single {open_quotes}snapshot{close_quotes} is proposed. The spectrograph is to be used with a bending magnet source on beamline 7.3.2 at the Advanced Light Source (ALS). Approximately 20 volts of spectra are simultaneously imaged across a small square of material sample at each respective K absorption edge of carbon, nitrogen, and oxygen. Photoelectrons emitted from the material sample will be collected by an electron imaging microscope, the view field of which determines the sampling size. The sample also forms the exit slit of the optical system. This dispersive method of NEXAFS data acquisition is three to four orders of magnitude faster than the conventional method of taking data point-to-point using scanning of the grating. The proposed design is presented along with the design method and supporting SHADOW raytrace analysis.

  11. Radiation Absorption Mechanism in Nonvolatile MNOS Structure

    2002-01-01

    The γ-ray radiation will speed up the discharge of the stored charge in nonvolatile MNOS structure. The radiation absorption mechanism to enhance the discharge is discussed. A direct radiation emission model from the interface traps distributing both in energy level and in space is given. The theoretical results based on this model are in good agreement with experimental measurement.

  12. Development of a new in situ cell for the X-ray Absorption Fine Structure analysis of the electrochemical reaction in a rechargeable battery and its application to the Lithium Battery Material, Li1+yMn2-yO4

    An electrochemical cell was developed for the in situ transmission X-ray Absorption Fine Structure measurements of the charge/discharge process of the cathode materials of lithium secondary batteries, from which Li can be electrochemically deintercalated or intercalated. The dynamical structural behavior of Mn in Li(Mn1.93Li0.07)O4, and Li(Mn1.85Li0.15)O4 as a function of both excess Li content and the Li deintercalation was revealed using the in situ cell. The analysis disclosed the coexistence of two MnO6-coordination polyhedra with different Mn-O distances for the Mn3+ and Mn4+ ions at the 16d site of the spinel structure. Because the charge-discharge process accompanies the oxidation-reduction of the Mn ions, this size difference causes an unfavorable lattice distortion for the electrode materials which can cause a loss of cell capacity after cyclic use of the cell. A partial substitution of Li for Mn will diminish this effect and will be favorable for the battery material. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  13. Fine defective structure of silicon carbide powders obtained from different starting materials

    Tomila T.V.

    2006-01-01

    Full Text Available The fine defective structure of silicon carbide powders obtained from silicic acid-saccharose, aerosil-saccharose, aerosil-carbon black, and hydrated cellulose-silicic acid gel systems was investigated. The relation between IR absorption characteristics and the microstructure of SiC particles obtained from different starting materials was established. The numerical relationship between the lattice parameter a and the frequency νTO is presented.

  14. Fine defective structure of silicon carbide powders obtained from different starting materials

    Tomila T.V.; Vlasova M.V.; Kakazey M.G.; Vyshnyakova K.L.; Ragulya A.V.; Pereselentseva L.N.

    2006-01-01

    The fine defective structure of silicon carbide powders obtained from silicic acid-saccharose, aerosil-saccharose, aerosil-carbon black, and hydrated cellulose-silicic acid gel systems was investigated. The relation between IR absorption characteristics and the microstructure of SiC particles obtained from different starting materials was established. The numerical relationship between the lattice parameter a and the frequency νTO is presented.

  15. Chemical evolution of Mg isotopes versus the time variation of the fine structure constant

    We show that the synthesis of Mg25,26 at the base of the convective envelope in low-metallicity asymptotic giant branch stars can produce the isotopic ratios needed to explain the low-z subset (with z<1.8) of the many-multiplet data from quasar absorption systems without invoking a time variation of the fine structure constant. This is supported by observations of high abundances of the neutron-rich Mg isotopes in metal-poor globular-cluster stars. We conclude that the quasar absorption spectra may be providing interesting information on the nucleosynthetic history of such systems

  16. Adding diffuse reflectance infrared Fourier transform spectroscopy capability to extended x-ray-absorption fine structure in a new cell to study solid catalysts in combination with a modulation approach

    Chiarello, Gian Luca [Dipartimento di Chimica, Università degli Studi di Milano, Via C. Golgi 19, I-20133 Milano, Italy and Empa, Swiss Federal Laboratories for Materials Science and Technology, Lab. for Solid State Chemistry and Catalysis, Ueberlandstrasse 129, CH-8600 Dübendorf (Switzerland); Nachtegaal, Maarten; Marchionni, Valentina; Quaroni, Luca; Ferri, Davide, E-mail: davide.ferri@psi.ch [Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland)

    2014-07-15

    We describe a novel cell used to combine in situ transmission X-ray absorption spectroscopy (XAS) with diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) in a single experiment. The novelty of the cell design compared to current examples is that both radiations are passed through an X-ray and IR transparent window in direct contact with the sample. This innovative geometry also offers a wide surface for IR collection. In order to avoid interference from the crystalline IR transparent materials (e.g., CaF{sub 2}, MgF{sub 2}, diamond) a 500 μm carbon filled hole is laser drilled in the center of a CaF{sub 2} window. The cell is designed to represent a plug flow reactor, has reduced dead volume in order to allow for fast exchange of gases and is therefore suitable for experiments under fast transients, e.g., according to the concentration modulation approach. High quality time-resolved XAS and DRIFTS data of a 2 wt.% Pt/Al{sub 2}O{sub 3} catalyst are obtained in concentration modulation experiments where CO (or H{sub 2}) pulses are alternated to O{sub 2} pulses at 150 °C. We show that additional information can be obtained on the Pt redox dynamic under working conditions thanks to the improved sensitivity given by the modulation approach followed by Phase Sensitive Detection (PSD) analysis. It is anticipated that the design of the novel cell is likely suitable for a number of other in situ spectroscopic and diffraction methods.

  17. A new method to determine the density and water absorption of fine recycled aggregates

    Fernando Rodrigues

    2013-01-01

    Full Text Available The construction industry keeps on demanding huge quantities of natural resources, mainly minerals for mortars and concrete production. The depletion of many quarries and environmental concerns about reducing the dumping of construction and demolition waste in quarries have led to an increase in the procuring and use of recycled aggregates from this type of waste. If they are to be incorporated in concrete and mortars it is essential to know their properties to guarantee the adequate performance of the end products, in both mechanical and durability-related terms. Existing regulated tests were developed for natural aggregates, however, and several problems arise when they are applied to recycled aggregates, especially fine recycled aggregates (FRA. This paper describes the main problems encountered with these tests and proposes an alternative method to determine the density and water absorption of FRA that removes them. The use of sodium hexametaphosphate solutions in the water absorption test has proven to improve its efficiency, minimizing cohesion between particles and helping to release entrained air.

  18. Fine Structure of the Rydberg Blockade Zone

    Dumin, Yurii V.

    2013-01-01

    A spatial structure of the zone blocked by the dipolar electric field of a Rydberg atom is calculated taking into account a possibility of excitation to the states with neighboring values of the principal quantum number. As a result, it was found that the blocked zone represents a number of co-centric spherical shells rather than a solid ball, and the respective pair correlation function should have additional maxima at small interparticle distances.

  19. Residence time and pH effects on the bonding configuration of orthophosphate surface complexes at the goethite/water interface as examined by Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy.

    Abdala, Dalton Belchior; Northrup, Paul Andrew; Vicentin, Flávio César; Sparks, Donald Lewis

    2015-03-15

    Identifying the mechanisms by which P is bound to soils and soil constituents is ultimately important as they provide information on the stability of bound species and their reactivity in the environment. EXAFS studies were carried out to provide information on how the local chemical environment of sorbed P changes as an effect of pH and time. Goethite was reacted with orthophosphate at a P concentration of 0.8mmolL(-1) P at pH 3.0, 4.5 and 6.0. The residence time effect on the mechanisms of P sorption on goethite was also evaluated for two different reaction times, 5 and 18days, on goethite suspensions reacted at pH 4.5. The objective of this study was to understand how P sorption mechanisms change over a wide pH range when subjected to P concentrations above the P saturation ratio of goethite. Phosphorus K-edge EXAFS spectra were collected at 2150eV in fluorescence mode and the structural parameters were obtained through the fits of sorption data using Artemis. The monodentate surface complex was shown to be the predominant mechanism by which P sorbs at the goethite surface under the experimental conditions. The lack of a discrete Fe-P shell and the presence of highly disordered structures, particularly, at R-space ⩾3.5 suggested the formation of P surface precipitates at the goethite/water interface. PMID:25514644

  20. Fine structure in a dark umbra

    Sobotka, Michal; Puschmann, K.G.

    Göttingen : Universitätsverlag Göttingen, 2007 - (Kneer, F.; Puschmann, K.; Wittmann, A.), s. 205-208 ISBN 978-3-938616-84-0. [Modern solar facilities - advanced solar science. Göttingen (DE), 27.09.2006-29.09.2006] R&D Projects: GA AV ČR IAA3003404 Grant ostatní: EU(XE) HPRN-CT-2002-00313 Institutional research plan: CEZ:AV0Z10030501 Source of funding: V - iné verejné zdroje Keywords : sunspots * umbral structure Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics

  1. Spectral fine structure effects on material and doppler reactivity worth

    New formulations concerning the fine structure effects on the reactivity worth of resonances are developed and conclusions are derived following the extension to more general types of perturbations which include: the removal of resonance material at finite temperatures and the temperature variation of part of the resonance material. It is concluded that the flux method can overpredict the reactivity worth of resonance materials more than anticipated. Calculations on the Doppler worth were carried out; the results can be useful for asessing the contribution of the fine structure effects to the large discrepancy that exists between the calculated and measured small sample Doppler worths. (B.G.)

  2. Fine structure of helium and light helium-like ions

    Pachucki, Krzysztof; Yerokhin, Vladimir A.

    2010-01-01

    Calculational results are presented for the fine-structure splitting of the 2^3P state of helium and helium-like ions with the nuclear charge Z up to 10. Theoretical predictions are in agreement with the latest experimental results for the helium fine-structure intervals as well as with the most of the experimental data available for light helium-like ions. Comparing the theoretical value of the 2^3P_0-2^3P_1 interval in helium with the experimental result [T. Zelevinsky et al. Phys. Rev. Let...

  3. Retinal Photoreceptor Fine Structure in some reptiles

    Fairoze Khattab; Fahmy I. Khattab; Nagui Fares and Aman Zaki

    2004-12-01

    Full Text Available The structure of the photoreceptors of four different reptiles: the homed viper Cerastes cerastes (diurnal and nocturnal, the European Chameleo chameleon (diurnal, the gold skink Eumeces schneidrii (diurnal and the Egyptian gecko, Tarentola annularis (nocturnal has been investigated by light and electron microscopy. The photoreceptors of diurnal reptiles were mainly of the cone type and those of nocturnal were mainly rods. The ellipsoid region of both double rods in the nocturnals and large single cones in the species having both nocturnals and diurnal activity, consist of several mitochondria arranged in a remarkable radially gradient architecture which accommodates with the specific function of this region as a focusing device helping to condense light onto the outer segments. Moreover the principle cone of double cone and single cone of diurnal reptiles possessed a large oil droplet in the region between the inner segment and outer segment. This droplet is thought to play a role in filtering light and so doing enhanced contrast reduce glare and lessen chromatic aberration. It is worth to mention that the outer segment of rods in nocturnal reptiles approaches a length of approximately four folds the length of the inner segments of the same photoreceptors cells. This character is of a particular interest, since the outer segment is the site of photopigments and the increase in its length magnifies its ability of light and consequently accommodate with the night vision.

  4. Examination and refinement of fine energy group structure for high temperature reactor analysis

    Highlights: • Fine energy group structure improvement increased the accuracy of the reaction rates. • Fine energy group structure (SHEM-361) was improved to SHEM-TPN-531 and (SHEM-281) was improved to SHEM-TPN-407. • Uncertainty about the applicability of SHEM energy group structures to HTRs has been addressed. • Depletion analysis were conducted to predict the economic performance of HTRs. - Abstract: Multi-group energy structure SHEM-281 and -361 were refined using a Contributon and Point-Wise Cross Section Driven method (CPXSD). The Contributon and Point-Wise Cross Section Driven method was derived based on the product of the forward and adjoint angular fluxes, and the point-wise cross section of important isotope/material. It is an iterative method that selects effective fine- and broad-group energy structures for a problem of interest. The two selected criteria for determining fine energy group structure were 10 pcm relative deviation of Δk/k for k-effective and 1% relative deviation for reaction rates. The energy group structure refinement was subdivided into fast, epithermal and thermal regions. Firstly, the refinement was done for fast region and a new library was created and applied in the fuel cell unit until the target criteria’s are met. Similar procedure was repeated for epithermal and thermal regions. The dominant parameters for each region are considered as required, fission reaction rate for fast region, absorption reaction rate for epithermal region and absorption and fission reaction rates for thermal region

  5. Intestinal absorption of specific structured triacylglycerols

    Mu, Huiling; Høy, Carl-Erik

    2001-01-01

    -sn-glycerol (10:0/18:2/10:0), and 1,3-didodecanoyl-2-linoleoyl-sn-glycerol (12:0/18:2/12:0) in a rat model. Safflower oil was used in the absorption study in order to compare the absorption of medium- chain fatty acids and long-chain fatty acids, The triacylglycerol species of lymph Lipids were separated on a...... lymph lipids after administration of the specific structured triacylglycerols (STAG), The recoveries of 8:0/18:2/8:0, 10:0/18:2/10:0, and 12:0/18:2/12:0 were 0.6%, 12%, and 5%, respectively, Several new triacylglycerol species were detected in the lymph Lipids, including MLL-, LLL-, and MMM...

  6. Solar radio bursts with spectral fine structures in preflares

    Zhang, Yin; Tan, Baolin; Karlicky, Marian; Meszarosova, Hana; Huang, Jing; Tan, Chengming; Simoes, Paulo J. A.

    2015-01-01

    A good observation of preflare activities is important for us to understand the origin and triggering mechanism of solar flares, and to predict the occurrence of solar flares. This work presents the characteristics of microwave spectral fine structures as preflare activities of four solar flares observed by Ond\\v{r}ejov radio spectrograph in the frequency range of 0.8--2.0 GHz. We found that these microwave bursts which occurred 1--4 minutes before the onset of flares have spectral fine struc...

  7. Law of Localised Fine Structure with application in mass spectrometry

    Łącki, Mateusz Krzysztof

    2014-01-01

    This paper presents a brand new methodology to deal with isotopic fine structure calculations. By using the Poisson approximation in an entirely novel way, we introduce mathematical elegance into the discussion on the trade-off between resolution and tractability. Our considerations unify the concepts of fine-structure, equatransneutronic configurations, and aggregate isotopic structure in a natural and simple way. We show how to boost the theoretical resolution in a seemingly costless way by several orders of magnitude with respect to the already very efficient algorithms operating on isotopic aggregates. We also develop an effective new way to obtain the important peaks in the most disaggregated isotopic structure localised in a precise region in the mass domain.

  8. Coherent perfect absorption in photonic structures

    Baldacci, Lorenzo; Tredicucci, Alessandro

    2016-01-01

    The ability to drive a system with an external input is a fundamental aspect of light-matter interaction. The coherent perfect absorption (CPA) phenomenon extends to the general multibeam interference phenomenology the well known critical coupling concepts. This interferometric control of absorption can be employed to reach full delivery of optical energy to nanoscale systems such as plasmonic nanoparticles, and multi-port interference can be used to enhance the absorption of a nanoscale device when it is embedded in a strongly scattering system, with potential applications to nanoscale sensing. Here we review the two-port CPA in reference to photonic structures which can resonantly couple to the external fields. A revised two-port theory of CPA is illustrated, which relies on the Scattering Matrix formalism and is valid for all linear two-port systems with reciprocity. Through a semiclassical approach, treating two-port critical coupling conditions in a non-perturbative regime, it is demonstrated that the st...

  9. Surface Enhance Infrared Absorption in nanogap structures

    Li, Yajing; Zolotavin, Pavlo; Natelson, Douglas

    Understanding the energy dissipation at the interface of molecules and metal nanostructures is of interest. We fabricate self-aligned gold nanostructures with nanometer-scale interelectrode spacing. Those gold nanostructures support highly hybridized plasmon modes with great enhanced local electric field. Previous studies have proven those structures to be suitable substrates for surface-enhanced Raman spectroscopy with single-molecule sensitivity, which enables the study of molecular vibrational and electronic physics. We propose those structures as possible probes of the energy dissipation at the nanometer gap. By measuring the absorption spectrum of molecules assembled in the junction, we can estimate the local filed intensity at the gap and discuss the plasmonic responses of these self-aligned structures under infrared excitation.

  10. Markov Chain Monte Carlo methods applied to measuring the fine structure constant from quasar spectroscopy

    King, Julian; Mortlock, Daniel; Webb, John; Murphy, Michael

    2010-11-01

    Recent attempts to constrain cosmological variation in the fine structure constant, α, using quasar absorption lines have yielded two statistical samples which initially appear to be inconsistent. One of these samples was subsequently demonstrated to not pass consistency tests; it appears that the optimisation algorithm used to fit the model to the spectra failed. Nevertheless, the results of the other hinge on the robustness of the spectral fitting program VPFIT, which has been tested through simulation but not through direct exploration of the likelihood function. We present the application of Markov Chain Monte Carlo (MCMC) methods to this problem, and demonstrate that VPFIT produces similar values and uncertainties for Δα/α, the fractional change in the fine structure constant, as our MCMC algorithm, and thus that VPFIT is reliable.

  11. Markov Chain Monte Carlo methods applied to measuring the fine structure constant from quasar spectroscopy

    King, Julian A; Webb, John K; Murphy, Michael T

    2009-01-01

    Recent attempts to constrain cosmological variation in the fine structure constant, alpha, using quasar absorption lines have yielded two statistical samples which initially appear to be inconsistent. One of these samples was subsequently demonstrated to not pass consistency tests; it appears that the optimisation algorithm used to fit the model to the spectra failed. Nevertheless, the results of the other hinge on the robustness of the spectral fitting program VPFIT, which has been tested through simulation but not through direct exploration of the likelihood function. We present the application of Markov Chain Monte Carlo (MCMC) methods to this problem, and demonstrate that VPFIT produces similar values and uncertainties for (Delta alpha)/(alpha), the fractional change in the fine structure constant, as our MCMC algorithm, and thus that VPFIT is reliable.

  12. The local structure and optical absorption characteristic investigation on Fe doped TiO2 nanoparticles

    Zhao, Tianxing; Huang, Junheng; He, Jinfu; Liu, Qinghua; Pan, Zhiyun; Wu, Ziyu

    2014-01-01

    The local structures and optical absorption characteristic of Fe doped TiO2 nanoparticles synthesized by the sol-gel method were characterized by X-ray Diffraction (XRD), X-ray absorption fine structure spectroscopy (XAFS) and UV-Vis absorption spectroscopy (UV-Vis). XRD patterns show that all Fe-doped TiO2 samples have the characteristic anatase structure. Accurate Fe and Ti K-edge EXAFS analysis further reveal that all Fe atoms replace Ti atoms in the anatase lattice. The analysis of UV-Vis data shows a red shift to the visible range. According to the above results, we claim that substitutional Fe atoms lead to the formation of structural defects and new intermediate energy levels appear, narrowing the band gap and extending the optical absorption edge towards the visible region.

  13. Electron excitation rates among fine structure levels in O III

    Electron collision strengths have been calculated for 146 transitions among the fine-structure levels in O III using a suitable transformation of LS coupling reactance matrix elements computed with the R-matrix method. These have been obtained at a fine energy grid in an energy region below 5.16 Ry and are found to be varying with electron energy, exhibiting a complicated resonance structure in almost the entire energy range. These have been averaged over a Maxwellian distribution of electron energies to get the effective collision strengths which are very simply related to the excitation and the de-excitation rate coefficients. The results are tabulated in a temperature region below 60,000 K. These are the first extensive results in the literature and are believed to be highly useful for astrophysical plasma diagnostics

  14. Photoreceptor fine structure in the bobtail goanna (Tiliqua rugosa)

    Braekevelt, Charlie R.

    1989-01-01

    The fine structure of the retinal photoreceptors has been studied by light and electron microscopy in the bobtail goanna (Tiliqua rugosa) an Australian diurna1 lizard. The photoreceptors in this species are readily divisible into rods or cones based on morphological criteria. Single cones are the dominate cell type with a cone:rod ratio of about 80: 1. No multiple photoreceptors were present nor was a photoreceptor mosiac observed. Cones are large cells with a ...

  15. FINE STRUCTURE OF SYZYGY IN SELENIDIUM PENNATUM (SPOROZOA, ARCHIGREGARINIDA)

    Kuvardina, Olga; Simdyanov, Timur

    2002-01-01

    Here we describe fine structure of the syzygy partner in Selenidium pennatum Simdyanov 1992 (Sporozoa, Archigregarinida as proposed by Grasse and Schrevel). The presence of an apical complex (conoid and rhoptries) and the absence of nucleus are the most interesting properties of this object. Long term presence of the apical complex during the life cycle is a plesiomorph character for Apicomplexa. Among other things, it distinguishes archigregarines from other sporozoans and confirms the sugge...

  16. Topological quantization in units of the fine structure constant

    Maciejko, Joseph; Qi, Xiao-Liang; Drew, H. Dennis; Zhang, Shou-Cheng

    2010-01-01

    Fundamental topological phenomena in condensed matter physics are associated with a quantized electromagnetic response in units of fundamental constants. Recently, it has been predicted theoretically that the time-reversal invariant topological insulator in three dimensions exhibits a topological magnetoelectric effect quantized in units of the fine structure constant $\\alpha=e^2/\\hbar c$. In this work, we propose an optical experiment to directly measure this topological quantization phenome...

  17. Subcortical representation of speech fine structure relates to reading ability

    Hornickel, Jane; Anderson, Samira; Skoe, Erika; Yi, Han-Gyol; Kraus, Nina

    2012-01-01

    Impaired perception of consonants by poor readers is reflected in poor subcortical encoding of speech timing and harmonics. We assessed auditory brainstem representation of higher harmonics within a consonant-vowel formant transition to identify relationships between speech fine structure and reading. Responses were analyzed in three ways: a single stimulus polarity, adding responses to inverted polarities (emphasizing low harmonics), and subtracting responses to inverted polarities (emphasiz...

  18. Fine Structures and Overlying Loops of Confined Solar Flares

    Yang, Shuhong; Zhang, Jun; Xiang, Yongyuan

    2014-01-01

    Using the H$\\alpha$ observations from the New Vacuum Solar Telescope at Fuxian Solar Observatory, we focus on the fine structures of three confined flares and the issue why all the three flares are confined instead of eruptive. All the three confined flares take place successively at the same location and have similar morphologies, so can be termed homologous confined flares. In the simultaneous images obtained by the Solar Dynamics Observatory, many large-scale coronal loops above the confin...

  19. Fundamental Physics and the Fine-Structure Constant

    Sherbon, Michael A.

    2016-01-01

    From the exponential function of Euler’s equation to the geometry of a fundamental form, a calculation of the fine-structure constant and its relationship to the proton electron mass ratio is given. Equations are found for the fundamental constants of the four forces of nature: electromagnetism, the weak force, the strong force and the force of gravitation. Symmetry principles are then associated with traditional physical measures.

  20. Quintessential Nature of the Fine-Structure Constant

    Sherbon, Michael A.

    2015-01-01

    7 pages International audience An introduction is given to the geometry and harmonics of the Golden Apex in the Great Pyramid, with the metaphysical and mathematical determination of the fine-structure constant of electromagnetic interactions. Newton's gravitational constant is also presented in harmonic form and other fundamental physical constants are then found related to the quintessential geometry of the Golden Apex in the Great Pyramid.

  1. Free carrier absorption in quantum cascade structures

    Carosella, F.; Ndebeka-Bandou, C.; Ferreira, R.; Dupont, E; K. Unterrainer; Strasser, G.; Wacker, Andreas; Bastard, G.

    2011-01-01

    We show that the free carrier absorption in Quantum Cascade Lasers is very small and radically different from the classical Drude result on account of the orthogonality between the direction of the carrier free motion and the electric field of the laser emission. A quantum mechanical calculation of the free carrier absorption and inter-subband oblique absorption induced by interface defects, coulombic impurities and optical phonon absorption/emission is presented for QCL's with a double quant...

  2. Solar chromospheric fine scale structures: dynamics and energetics

    Tziotziou, K.

    2012-01-01

    The solar chromosphere is a very inhomogeneous and dynamic layer of the solar atmosphere that exhibits several phenomena on a wide range of spatial and temporal scales. High-resolution and long-duration observations, employing mostly lines, such as Halpha, the Ca II infrared lines and the Ca II H and K lines, obtained both from ground-based telescope facilities (e.g. DST, VTT, THEMIS, SST, DOT), as well as state-of-the-art satellites (e.g. SOHO, TRACE, HINODE) reveal an incredibly rich, dynamic and highly structured chromospheric environment. What is known in literature as the chromospheric fine-scale structure mainly consists of small fibrilar-like features that connect various parts of quiet/active regions or span across the chromospheric network cell interiors, showing a large diversity of both physical and dynamic characteristics. The highly dynamic, fine-scale chromospheric structures are mostly governed by flows which reflect the complex geometry and dynamics of the local magnetic field and play an important role in the propagation and dissipation of waves. A comprehensive study of these structures requires deep understanding of the physical processes involved and investigation of their intricate link with structures/processes at lower photospheric levels. Furthermore, due to their large number present on the solar surface, it is essential to investigate their impact on the mass and energy transport to higher atmospheric layers through processes such as magnetic reconnection and propagation of waves. The in-depth study of all aforementioned characteristics and processes, with the further addition of non-LTE physics, as well as the use of three-dimensional numerical simulations poses a fascinating challenge for both theory and numerical modeling of chromospheric fine-scale structures.

  3. Erasing the exciton fine structure splitting in semiconductor quantum dots

    Full text: In semiconductor quantum dots (QDs), the anisotropic electron-hole exchange interaction induces a fine structure splitting (FSS) between the bright excitonic states and hampers severely their use as high-fidelity sources of entangled photons. In this presentation, we will show that it is always possible to erase the FSS by the simultaneous application of large strain and electric fields. Our result, which holds for any quantum dot structure, highlights the potential of combining complementary external fields to create artificial atoms meeting the stringent requirements posed by scalable semiconductor-based quantum technology. (author)

  4. The fine structure of capillaries and small arteries.

    MOORE, D H; RUSKA, H

    1957-05-25

    Details of capillary endothelia of the mammalian heart are described and compared with capillaries of other organs and tissues. Continuous invagination and pinching off of the plasma membrane to form small vesicles which move across the cytoplasm are suggested as constituting a means of active and selective transmission through capillary walls (12). This might be designated as cytopempsis (transmission by cell). The fine structure of the different layers in the walls of small heart arteries is demonstrated. Endothelial protrusions extend through windows of the elestica interna to make direct contact with smooth muscle plasma membranes. The elastica interna appears to vary greatly in both thickness and density, and probably restricts filtration, diffusion, and osmosis to such an extent that windows and the transport mechanisms described (cytopempsis) are necessary for the functional integrity of the smooth muscle layer. The contractile material consists of very fine, poorly oriented filaments. PMID:13438930

  5. The fine structure of the Saturnian ring system

    A dust disc within a planetary magnetosphere constitutes a novel type of dust-ring current. Such an azimuthal current carrying dust disc is subject to the dusty plasma analog of the well known finite-resistivity 'tearing' mode instability in regular plasma current sheets, at long wavelengths. It is proposed that the presently observed fine ringlet structure of the Saturnian ring system is a relic of this process operating at cosmogonic times and breaking up the initial proto-ring (which may be regarded as an admixture of fine dust and plasma) into an ensemble of thin ringlets. It is shown that this instability developes at a rate that is many orders of magnitude faster than any other known instability, when the disc thickness reaches a value that is comparable to its present observed value. (Auth.)

  6. The fine structure line deficit in S 140

    Ossenkopf, Volker; Okada, Yoko; Mookerjea, Bhaswati; van der Tak, Floris F S; Simon, Robert; Pütz, Patrick; Güsten, Rolf

    2015-01-01

    We try to understand the gas heating and cooling in the S 140 star forming region by spatially and spectrally resolving the distribution of the main cooling lines with GREAT/SOFIA. We mapped the fine structure lines of [OI] (63 {\\mu}m) and [CII] (158 {\\mu}m) and the rotational transitions of CO 13-12 and 16-15 with GREAT/SOFIA and analyzed the spatial and velocity structure to assign the emission to individual heating sources. We measure the optical depth of the [CII] line and perform radiative transfer computations for all observed transitions. By comparing the line intensities with the far-infrared continuum we can assess the total cooling budget and measure the gas heating efficiency. The main emission of fine structure lines in S 140 stems from a 8.3'' region close to the infrared source IRS 2 that is not prominent at any other wavelength. It can be explained by a photon-dominated region (PDR) structure around the embedded cluster if we assume that the [OI] line intensity is reduced by a factor seven due ...

  7. Distortion product otoacoustic emission fine structure of symphony orchestra musicians

    Reuter, Karen; Hammershøi, Dorte

    Otoacoustic emissions (OAE) are sounds produced by the healthy inner ear. They can be measured as low-level signals in the ear canal and are used to monitor the functioning of outer hair cells.Several studies indicate that OAE might be a more sensitive measure to detect early noise-induced hearing...... losses than puretone audiometry. The distortion product otoacoustic emission (DPOAE) fine structure is obtained when the ear is stimulated by dual tone stimuli using a high frequency resolution. It is characterized by quasi-periodic variations across frequency, as it can be observed in the hearing...

  8. Distortion product otoacoustic emission fine structure of symphony orchestra musicians

    Reuter, Karen; Hammershøi, Dorte

    2006-01-01

    Otoacoustic emissions (OAE) are sounds produced by the healthy inner ear. They can be measured as low-level signals in the ear canal and are used to monitor the functioning of outer hair cells. Many studies indicate that OAE might be a more sensitive measure to detect early noise-induced haring...... losses than pure-tone audiometry. The distortion product otoacoustic emission (DPOAE) fine structure is obtained when the ear is stiumulated by dual tone stimuli using a high frequency resolution. It is characterized by quasi-periodic variations across frequency, as it can be observed in the hearing...

  9. A simple cosmology with a varying fine structure constant

    We investigate the cosmological consequences of a theory in which the electric charge e can vary. In this theory the fine structure 'constant', α, remains almost constant in the radiation era, undergoes a small increase in the matter era, but approaches a constant value when the universe starts accelerating because of a positive cosmological constant. This model satisfies geonuclear, nucleosynthesis, and cosmic microwave background constraints on time variation in α , while fitting the observed accelerating Universe and evidence for small α variations in quasar spectra. It also places specific restrictions on the nature of the dark matter. Further tests, involving stellar spectra and Eoetvoes experiments, are proposed

  10. Fine structure of plastids during androgenesis in Hordeum vulgare L.

    Fortunat Młodzianowski

    2014-02-01

    Full Text Available The fine structure of plastids was studied in the course of androgenesis in in the pollen of Hordeum vulgare L. It was found that these organelles occur in all stages of androgenesis. Their structure was simple and was frequently manifested on the cross section only by the presence of the envelope and matrix of different degree of density. Single thylakoids, nucleoid-like regions and starch grains were, however, also noted. The structure of plastids in embryoids formed from microspores of barley was compared with embryos developed from fertilized egg cell, and we did not found any fundamental differences between them. However, only plastid ribosomes were difficult to identify on ultrathin sections in embryoids and in the embryos.

  11. SOLAR RADIO BURSTS WITH SPECTRAL FINE STRUCTURES IN PREFLARES

    Good observations of preflare activities are important for us to understand the origin and triggering mechanism of solar flares, and to predict the occurrence of solar flares. This work presents the characteristics of microwave spectral fine structures as preflare activities of four solar flares observed by the Ondřejov radio spectrograph in the frequency range of 0.8-2.0 GHz. We found that these microwave bursts which occurred 1-4 minutes before the onset of flares have spectral fine structures with relatively weak intensities and very short timescales. They include microwave quasi-periodic pulsations with very short periods of 0.1-0.3 s and dot bursts with millisecond timescales and narrow frequency bandwidths. Accompanying these microwave bursts are filament motions, plasma ejection or loop brightening in the EUV imaging observations, and non-thermal hard X-ray emission enhancements observed by RHESSI. These facts may reveal certain independent, non-thermal energy releasing processes and particle acceleration before the onset of solar flares. They may help us to understand the nature of solar flares and to predict their occurrence

  12. Herschel Galactic plane survey of [NII] fine structure emission

    Goldsmith, Paul F; Langer, William D; Pineda, Jorge L

    2015-01-01

    We present the first large scale high angular resolution survey of ionized nitrogen in the Galactic Plane through emission of its two fine structure transitions ([NII]) at 122 $\\mu$m and 205 $\\mu$m. The observations were largely obtained with the PACS instrument onboard the Herschel Space Observatory. The lines-of-sight were in the Galactic plane, following those of the Herschel OTKP project GOT C+. Both lines are reliably detected at the 10$^{-8}$ - 10$^{-7}$ $W$m$^{-2}$sr$^{-1}$ level over the range -60$^{o}$ $\\leq$ $l$ $\\leq$ 60$^{o}$. The $rms$ of the intensity among the 25 PACS spaxels of a given pointing is typically less than one third of the mean intensity, showing that the emission is extended. [NII] is produced in gas in which hydrogen is ionized, and collisional excitation is by electrons. The ratio of the two fine structure transitions provides a direct measurement of the electron density, yielding $n(e)$ largely in the range 10 to 50 cm$^{-3}$ with an average value of 29 cm$^{-3}$ and N$^+$ colum...

  13. Black Holes and Quantum Theory: The Fine Structure Constant Connection

    Cahill R. T.

    2006-10-01

    Full Text Available The new dynamical theory of space is further confirmed by showing that the effective “black hole” masses M BH in 19 spherical star systems, from globular clusters to galaxies, with masses M , satisfy the prediction that M BH = α 2 M , where α is the fine structure constant. As well the necessary and unique generalisations of the Schr ̈ odinger and Dirac equations permit the first derivation of gravity from a deeper theory, showing that gravity is a quantum effect of quantum matter interacting with the dynamical space. As well the necessary generalisation of Maxwell’s equations displays the observed light bending effects. Finally it is shown from the generalised Dirac equation where the spacetime mathematical formalism, and the accompanying geodesic prescription for matter trajectories, comes from. The new theory of space is non-local and we see many parallels between this and quantum theory, in addition to the fine structure constant manifesting in both, so supporting the argument that space is a quantum foam system, as implied by the deeper information-theoretic theory known as Process Physics. The spatial dynamics also provides an explanation for the “dark matter” effect and as well the non-locality of the dynamics provides a mechanism for generating the uniformity of the universe, so explaining the cosmological horizon problem.

  14. SOLAR RADIO BURSTS WITH SPECTRAL FINE STRUCTURES IN PREFLARES

    Zhang, Yin; Tan, Baolin; Huang, Jing; Tan, Chengming [Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, Chaoyang District, Beijing 100012 (China); Karlický, Marian; Mészárosová, Hana [Astronomical Institute of the Academy of Sciences of the Czech Republic, 25165 Ondřejov (Czech Republic); Simões, Paulo J.A., E-mail: zhangyin@bao.ac.cn [SUPA, School of Physics and Astronomy, University of Glasgow, Glasgow G12 8QQ (United Kingdom)

    2015-01-20

    Good observations of preflare activities are important for us to understand the origin and triggering mechanism of solar flares, and to predict the occurrence of solar flares. This work presents the characteristics of microwave spectral fine structures as preflare activities of four solar flares observed by the Ondřejov radio spectrograph in the frequency range of 0.8-2.0 GHz. We found that these microwave bursts which occurred 1-4 minutes before the onset of flares have spectral fine structures with relatively weak intensities and very short timescales. They include microwave quasi-periodic pulsations with very short periods of 0.1-0.3 s and dot bursts with millisecond timescales and narrow frequency bandwidths. Accompanying these microwave bursts are filament motions, plasma ejection or loop brightening in the EUV imaging observations, and non-thermal hard X-ray emission enhancements observed by RHESSI. These facts may reveal certain independent, non-thermal energy releasing processes and particle acceleration before the onset of solar flares. They may help us to understand the nature of solar flares and to predict their occurrence.

  15. Atomic structure of Mn-rich nanocolumns probed by x-ray absorption spectroscopy

    Rovezzi, M.; Devillers, T.; Arras, E.; d'Acapito, F.; Barski, A.; Jamet, M.; Pochet, P.

    2008-06-01

    In this letter, we have used the extended x-ray-absorption fine-structure (EXAFS) technique to investigate the structure of Mn-rich self-organized nanocolumns grown by low temperature molecular beam epitaxy. The EXAFS analysis has shown that Mn-rich nanocolumns exhibit a complex local structure that cannot be described by a simple substitutional model. Additional interatomic distances had to be considered in the EXAFS model which are in excellent agreement with the structure of a Ge-3Mn building block tetrahedron of Ge3Mn5.

  16. The crack energy absorptive capacity of composites with fractal structure

    This paper discusses the energy absorptive capacity of composites with fibers of fractal structures. It is found that this kind of structure may increase the absorption energy during the crack propagation and hence the fracture toughness of composites. (author). 10 refs, 6 figs, 2 tabs

  17. Surface structure of CdSe Nanorods revealed by combined X-rayabsorption fine structure measurements and ab-initio calculations

    Aruguete, Deborah A.; Marcus, Matthew A.; Li, Liang-shi; Williamson, Andrew; Fakra, Sirine; Gygi, Francois; Galli, Giulia; Alivisatos, A. Paul

    2006-01-27

    We report orientation-specific, surface-sensitive structural characterization of colloidal CdSe nanorods with extended X-ray absorption fine structure spectroscopy and ab-initio density functional theory calculations. Our measurements of crystallographically-aligned CdSe nanorods show that they have reconstructed Cd-rich surfaces. They exhibit orientation-dependent changes in interatomic distances which are qualitatively reproduced by our calculations. These calculations reveal that the measured interatomic distance anisotropy originates from the nanorod surface.

  18. Fine-structure energy levels and lifetimes in Br XXIV

    Tayal, Vikas; Gupta, G P [Department of Physics, SD (Postgraduate) College, Muzaffarnagar, UP (India)

    2005-11-28

    We have performed large-scale CIV3 calculations of excitation energies from the ground state for 48 fine-structure levels as well as of oscillator strengths and radiative decay rates for all electric-dipole-allowed and intercombination transitions among the (1s{sup 2}2s{sup 2}2p{sup 6})3s{sup 2}({sup 1}S), 3s3p({sup 1,3}P{sup o}), 3s3d({sup 1,3}D), 3s4s({sup 1,3}S), 3s4p({sup 1,3}P{sup o}), 3s4d({sup 1,3}D), 3s4f({sup 1,3}F{sup o}), 3p{sup 2}({sup 1}S, {sup 3}P, {sup 1}D), 3p3d({sup 1,3}P{sup o}, {sup 1,3}D{sup o}, {sup 1,3}F{sup o}), 3p4s({sup 1,3}P{sup o}) and 3d{sup 2}({sup 1}S, {sup 3}P, {sup 1}D) states of Br XXIV. These states are represented by extensive configuration-interaction (CI) wavefunctions obtained using the CIV3 computer code of Hibbert. The relativistic effects in intermediate coupling are incorporated by means of the Breit-Pauli Hamiltonian which consists of the non-relativistic term plus the one-body mass correction, Darwin term, and spin-orbit, spin-other-orbit and spin-spin operators. Small adjustments to the diagonal elements of the Hamiltonian matrices have been made so that the energy splittings are as close as possible to the experimental values. Our calculated excitation energies, including their ordering, are in excellent agreement with the available experimental results except that the levels {sup 1}D{sub 2} and {sup 3}P{sub 2} belonging to the same configuration 3p{sup 2} interchanged their positions compared to the experiment. This interchange in our calculation is discussed and explained through eigenvector compositions of the two levels. From our radiative decay rates, we have calculated radiative lifetimes of some fine-structure levels. Our calculated lifetimes of the levels 3s3p({sup 3}P{sub 1}) and 3s3p({sup 1}P{sub 1}) are found to be in good agreement with the experimental and other theoretical results. In this calculation we also predict new data for several fine-structure levels where no other theoretical and experimental

  19. Atomic Clocks and Variations of the FIne Structure Constant

    Prestage, John D.; Tjoelker, Robert L.; Maleki, Lute

    1995-01-01

    We describe a new test for possible variations of the fine structure constant alpha by comparisons of rates between clocks based on hyperfine transitions in alkali atoms with different atomic number Z. H-maser, Cs, and Hg(+) clocks have a different dependence on alpha via relativistic contributions of order (Z-alpha)(sup 2). Recent H-maser vs Hg(+) clock comparison data improve laboratory limits on a time variation by 100-fold to give dot-alpha less than or equal to 3.7 x 10(exp -14)/yr. Future laser cooled clocks (Be(+), Rb, Cs, Hg(+), etc.), when compared, will yield the most sensitive of all tests for dot-alpha/alpha.

  20. Measurement of the Running of the Fine-Structure Constant

    Acciarri, M; Adriani, O; Aguilar-Benítez, M; Alcaraz, J; Alemanni, G; Allaby, James V; Aloisio, A; Alviggi, M G; Ambrosi, G; Anderhub, H; Andreev, V P; Angelescu, T; Anselmo, F; Arefev, A; Azemoon, T; Aziz, T; Bagnaia, P; Baksay, L; Balandras, A; Ball, R C; Banerjee, S; Banerjee, Sw; Barczyk, A; Barillère, R; Barone, L; Bartalini, P; Basile, M; Battiston, R; Bay, A; Becattini, F; Becker, U; Behner, F; Bellucci, L; Berdugo, J; Berges, P; Bertucci, B; Betev, B L; Bhattacharya, S; Biasini, M; Biland, A; Blaising, J J; Blyth, S C; Bobbink, Gerjan J; Böhm, A; Boldizsar, L; Borgia, B; Bourilkov, D; Bourquin, Maurice; Braccini, S; Branson, J G; Brigljevic, V; Brochu, F; Buffini, A; Buijs, A; Burger, J D; Burger, W J; Button, A M; Cai, X D; Campanelli, M; Capell, M; Cara Romeo, G; Carlino, G; Cartacci, A M; Casaus, J; Castellini, G; Cavallari, F; Cavallo, N; Cecchi, C; Cerrada-Canales, M; Cesaroni, F; Chamizo-Llatas, M; Chang, Y H; Chaturvedi, U K; Chemarin, M; Chen, A; Chen, G; Chen, G M; Chen, H F; Chen, H S; Chiefari, G; Cifarelli, Luisa; Cindolo, F; Civinini, C; Clare, I; Clare, R; Coignet, G; Colijn, A P; Colino, N; Costantini, S; Cotorobai, F; Cozzoni, B; de la Cruz, B; Csilling, Akos; Cucciarelli, S; Dai, T S; van Dalen, J A; D'Alessandro, R; De Asmundis, R; Déglon, P L; Degré, A; Deiters, K; Della Volpe, D; Denes, P; De Notaristefani, F; De Salvo, A; Diemoz, M; Van Dierendonck, D N; Di Lodovico, F; Dionisi, C; Dittmar, Michael; Dominguez, A; Doria, A; Dova, M T; Duchesneau, D; Dufournaud, D; Duinker, P; Durán, I; El-Mamouni, H; Engler, A; Eppling, F J; Erné, F C; Extermann, Pierre; Fabre, M; Faccini, R; Falagán, M A; Falciano, S; Favara, A; Fay, J; Fedin, O; Felcini, Marta; Ferguson, T; Ferroni, F; Fesefeldt, H S; Fiandrini, E; Field, J H; Filthaut, Frank; Fisher, P H; Fisk, I; Forconi, G; Fredj, L; Freudenreich, Klaus; Furetta, C; Galaktionov, Yu; Ganguli, S N; García-Abia, P; Gataullin, M; Gau, S S; Gentile, S; Gheordanescu, N; Giagu, S; Gong, Z F; Grenier, G; Grimm, O; Grünewald, M W; Guida, M; van Gulik, R; Gupta, V K; Gurtu, A; Gutay, L J; Haas, D; Hasan, A; Hatzifotiadou, D; Hebbeker, T; Hervé, A; Hidas, P; Hirschfelder, J; Hirstius, A; Hofer, H; Holzner, G; Hoorani, H; Hou, S R; Iashvili, I; Jin, B N; Jones, L W; de Jong, P; Josa-Mutuberria, I; Khan, R A; Kaur, M; Kienzle-Focacci, M N; Kim, D; Kim, D H; Kim, J K; Kim, S C; Kirkby, Jasper; Kiss, D; Kittel, E W; Klimentov, A; König, A C; Kopp, A; Koutsenko, V F; Kräber, M H; Krämer, R W; Krenz, W; Krüger, A; Kunin, A; Ladrón de Guevara, P; Laktineh, I; Landi, G; Lassila-Perini, K M; Lebeau, M; Lebedev, A; Lebrun, P; Lecomte, P; Lecoq, P; Le Coultre, P; Lee, H J; Le Goff, J M; Leiste, R; Leonardi, E; Levchenko, P M; Li Chuan; Likhoded, S A; Lin, C H; Lin, W T; Linde, Frank L; Lista, L; Liu, Z A; Lohmann, W; Longo, E; Lü, Y S; Lübelsmeyer, K; Luci, C; Luckey, D; Lugnier, L; Luminari, L; Lustermann, W; Ma Wen Gan; Maity, M; Malgeri, L; Malinin, A; Maña, C; Mangeol, D J J; Marchesini, P A; Marian, G; Martin, J P; Marzano, F; Massaro, G G G; Mazumdar, K; McNeil, R R; Mele, S; Merola, L; Meschini, M; Metzger, W J; Von der Mey, M; Mihul, A; Milcent, H; Mirabelli, G; Mnich, J; Mohanty, G B; Molnár, P; Monteleoni, B; Moulik, T; Muanza, G S; Muheim, F; Muijs, A J M; Musy, M; Napolitano, M; Nessi-Tedaldi, F; Newman, H; Niessen, T; Nisati, A; Nowak, H; Oh, Yu D; Organtini, G; Oulianov, A; Palomares, C; Pandoulas, D; Paoletti, S; Paolucci, P; Paramatti, R; Park, H K; Park, I H; Pascale, G; Passaleva, G; Patricelli, S; Paul, T; Pauluzzi, M; Paus, C; Pauss, Felicitas; Pedace, M; Pensotti, S; Perret-Gallix, D; Petersen, B; Piccolo, D; Pierella, F; Pieri, M; Piroué, P A; Pistolesi, E; Plyaskin, V; Pohl, M; Pozhidaev, V; Postema, H; Pothier, J; Produit, N; Prokofev, D; Prokofiev, D O; Quartieri, J; Rahal-Callot, G; Rahaman, M A; Raics, P; Raja, N; Ramelli, R; Rancoita, P G; Raspereza, A V; Raven, G; Razis, P A; Ren, D; Rescigno, M; Reucroft, S; Van Rhee, T; Riemann, S; Riles, K; Robohm, A; Rodin, J; Roe, B P; Romero, L; Rosca, A; Rosier-Lees, S; Rubio, Juan Antonio; Ruschmeier, D; Rykaczewski, H; Saremi, S; Sarkar, S; Salicio, J; Sánchez, E; Sanders, M P; Sarakinos, M E; Schäfer, C; Shchegelskii, V; Schmidt-Kärst, S; Schmitz, D; Schopper, Herwig Franz; Schotanus, D J; Schwering, G; Sciacca, C; Sciarrino, D; Seganti, A; Servoli, L; Shevchenko, S; Shivarov, N; Shoutko, V; Shumilov, E; Shvorob, A V; Siedenburg, T; Son, D; Smith, B; Spillantini, P; Steuer, M; Stickland, D P; Stone, A; Stone, H; Stoyanov, B; Strässner, A; Sudhakar, K; Sultanov, G G; Sun, L Z; Suter, H; Swain, J D; Szillási, Z; Sztaricskai, T; Tang, X W; Tauscher, Ludwig; Taylor, L; Timmermans, C; Ting, Samuel C C; Ting, S M; Tonwar, S C; Tóth, J; Tully, C; Tung, K L; Uchida, Y; Ulbricht, J; Valente, E; Vesztergombi, G; Vetlitskii, I; Vicinanza, D; Viertel, Gert M; Villa, S; Vivargent, M; Vlachos, S; Vodopyanov, I; Vogel, H; Vogt, H; Vorobev, I; Vorobyov, A A; Vorvolakos, A; Wadhwa, M; Wallraff, W; Wang, M; Wang, X L; Wang, Z M; Weber, A; Weber, M; Wienemann, P; Wilkens, H; Wu, S X; Wynhoff, S; Xia, L; Xu, Z Z; Yang, B Z; Yang, C G; Yang, H J; Yang, M; Ye, J B; Yeh, S C; Zalite, A; Zalite, Yu; Zhang, Z P; Zhu, G Y; Zhu, R Y; Zichichi, A; Zilizi, G; Zöller, M

    2000-01-01

    Small-angle Bhabha scattering data recorded at the Z resonance and large-angleBhabha scattering data recorded at $\\sqrt{s} = 189$ \\textrm{Ge\\kern -0.1em V} bythe L3 detector at LEP are used to measure the running of the effective fine-structure constant for spacelike momentum transfers. The results are\\begin{eqnarray*} \\alpha^{-1}(-2.1 \\mathrm{Ge\\kern -0.1em V}^{2}) - \\alpha^{-1}(-6.25 \\mathrm{Ge\\kern -0.1em V}^{2}) & = & 0.78 \\pm 0.26 \\\\ \\alpha^{-1}(-12.25 \\mathrm{Ge\\kern -0.1em V}^{2}) - \\alpha^{-1}(-3434 \\mathrm{Ge\\kern -0.1em V}^{2}) & = & 3.80 \\pm 1.29, \\\\\\end{eqnarray*}in agreement with theoretical predictions.

  1. Fine-structure constant constraints on dark energy

    Martins, C J A P

    2015-01-01

    We use astrophysical and atomic clock tests of the stability of the fine-structure constant $\\alpha$, together with Type Ia supernova and Hubble parameter data, to constrain the simplest class of dynamical dark energy models where the same degree of freedom is assumed to provide both the dark energy and (through a dimensionless coupling, $\\zeta$, to the electromagnetic sector) the $\\alpha$ variation. We show how current data tightly constrains a combination of $\\zeta$ and the dark energy equation of state $w_0$. At the $95\\%$ confidence level and marginalizing over $w_0$ we find $|\\zeta|<5\\times10^{-6}$, with the atomic clock tests dominating the constraints. The forthcoming generation of high-resolution ultra-stable spectrographs will enable significantly tighter constraints.

  2. Collisional Relaxation of Fine Velocity Structures in Plasmas

    Pezzi, Oreste; Valentini, Francesco; Veltri, Pierluigi

    2016-04-01

    The existence of several characteristic times during the collisional relaxation of fine velocity structures is investigated by means of Eulerian numerical simulations of a spatially homogeneous force-free weakly collisional plasma. The effect of smoothing out velocity gradients on the evolution of global quantities, such as temperature and entropy, is discussed, suggesting that plasma collisionality can locally increase due to velocity space deformations of the particle velocity distribution function. These results support the idea that high-resolution measurements of the particle velocity distribution function are crucial for an accurate description of weakly collisional systems, such as the solar wind, in order to answer relevant scientific questions, related, for example, to particle heating and energization.

  3. The Fine Structure of Equity-Index Option Dynamics

    Andersen, Torben G.; Bondarenko, Oleg; Todorov, Viktor;

    on it. We find that the innovations in the risk-neutral intensity of the negative jumps in the S&P 500 index over small time scales are best described via non-Gaussian shocks, i.e., jumps. On the other hand, the innovations over small time scales of the diffusive volatility are best modeled as......We analyze the high-frequency dynamics of S&P 500 equity-index option prices by constructing an assortment of implied volatility measures. This allows us to infer the underlying fine structure behind the innovations in the latent state variables driving the movements of the volatility surface. In...... particular, we focus attention on implied volatilities covering a wide range of moneyness (strike/underlying stock price), which load differentially on the different latent state variables. We conduct a similar analysis for high-frequency observations on the VIX volatility index as well as on futures written...

  4. Structural studies using X-ray absorption and scattering techniques

    The thesis presents extended X-ray absorption fine structure, EXAFS, and large angle X-ray scattering, LAXS, techniques; instrumentation, data collection and reduction, and applications. These techniques have been used to determine the structures of magnesium halides and organomagnesium halides in diethyl ether and tetrahydrofuran solution. The iodides were used for the LAXS measurements and Br K edge EXAFS data were collected for the corresponding bromides. Two different complexes are present in the diethyl ether solution of magnesium iodide; a polymeric chain-type structure where magnesium is tetrahedrally coordinated, as well as dimeric complex with octahedrally coordinated magnesium. Solvated MgI+ is the dominating species in tetrahydrofuran solution. The organomagnesium halides are present in diethyl ether solution as both solvated monomeric and dimeric complexes. Magnesium coordinates a halide ion, an alkyl or aryl group and four solvent molecules octahedrally in the monomeric complex. In the dimeric complex magnesium is octahedrally coordinated by two bridging halide ions, an alkyl or aryl group and three solvent molecules. The distribution of monomeric and dimeric complexes in various solutions are given by a dimerisation constant, Kdl. The results indicate that the Schlenk equilibrium is present in these solutions, however, in an extended form. In diethyl ether solution, where MgX2 does not dissociate, no MgX2 complex and thereby no Schlenk equilibrium has been observed. In tetrahydrofuran solution MgI2 has dissociated into mainly MgI+ and I-. This indicates that the concentration of MgI2 is low and that the Schlenk equilibrium should be expanded even further to include the dissociation equilibrium of the magnesium halide. In the thesis Fe K edge EXAFS data collected for the semireduced form of protein A of methane monooxygenase from Methylococcus capsulatus, are also presented. (139 refs.)

  5. [Study on the fine structure of K-feldspar of Qichun granite].

    Du, Deng-Wen; Hong, Han-Lie; Fan, Kan; Wang, Chao-Wen; Yin, Ke

    2013-03-01

    Fine structure of K-feldspar from the Qichun granite was investigated using X-ray diffraction (XRD), Fourier infrared absorption spectroscopy (FTIR), and inductively coupled plasma mass spectrometry methods to understand the evolution of the granitic magmatism and its correlation to molybdenite mineralization. The XRD results showed that K-feldspar of the potassic alteration veins has higher ordering index and triclinicity and is namely microcline with triclinic symmetry. K-feldspar of the early cretaceous granite has relatively lower ordering index and has widening [131] peak and is locally triclinic ordering. K-feldspar of the late cretaceous granite has lowest ordering index and sharp [131] peak and is honiogeneously monoclinic. The FTIR results showed that the IR spectra of the Qichun K-feldspar are similar to that of orthoclase reported by Farmer (1974). The 640 cm-1 absorption band increases while the 540 cm-' absorption band decreases with increase in K-feldspar ordering index, also, the 1,010 cm-1 absorption band separates into 1,010 and 1,046 cm-1 absorption bands, with a change in the band shape from widening to sharp outline. The ICP-MS results suggested that K-feldspar of the early cretaceous granite has relatively higher metal elements and rare earth elements, and the granite exhibits better mineralization background, K-feldspar of the potassic alteration veins has markedly lower Sr and Ba, indicating that the alteration fluid originated from the granitic magmatism, and hence, potassic alteration is a good indicator for molybdenite exploration. PMID:23705418

  6. Structural characterization of the Co/Cr multilayers by x-ray-absorption spectroscopy

    We have performed Cr and Co K-edge x-ray-absorption measurements to investigate the dependence of local electronic and atomic structures on the Cr-layer thickness in epitaxial Co(11-bar00) (40 A)/Cr(211) (tCr) (tCr=2, 3, 5, 7, and 9 A) multilayers. The Cr K x-ray-absorption near-edge fine structure (XANES) spectra of the Co/Cr multilayers indicate an abrupt transition of the Cr layer from hcp to bcc structure when the thickness of the Cr layer is increased to exceed ∼5 A or three atomic layers. Our results offer an upper limit for the ability of the Co/Cr interface to stabilize the hcp structure in the thin Cr layer. The numbers of nearest-neighbor and next-nearest-neighbor atoms in the Cr and Co layers determined by extended x-ray-absorption fine-structure measurements performed at the Cr and Co K edge, respectively, are consistent with the XANES results

  7. Shell structure of pancakes and the absorption spectra of quasars

    The formation of the absorption lines of atomic hydrogen in the spectra of distant quasars is considered. A model is constructed of the formation of shells of a pancake formed in the adiabatic picture of the generation of the large-scale structure of the universe. It is shown that the absorption lines can form doublets and the equivalent widths of the corresponding lines are calculated. The physical conditions corresponding to the observed heavy-element absorption spectra are discussed

  8. Fine structure of a resonantly excited p -shell exciton in a CdTe quantum dot

    Smoleński, T.; Kazimierczuk, T.; Goryca, M.; Wojnar, P.; Kossacki, P.

    2016-05-01

    We present a polarization-resolved photoluminescence excitation study of the absorption spectrum of a p -shell neutral exciton in a single CdTe/ZnTe quantum dot. We find that the fine structure of the p -shell exciton is completely analogous to the fine structure of the s -shell exciton, including the selection rules and the effects of a magnetic field applied in Faraday and Voigt configurations. The energy spectrum of the p -shell exciton is found to be well described by introducing respective isotropic and anisotropic constants of the exchange interaction between a p -shell electron and a p -shell hole. The typical values of these exchange constants averaged over several randomly selected quantum dots yield δ0p p=(0.92 ±0.16 ) meV and δ1p p=(0.58 ±0.25 ) meV. Additionally, we demonstrate that the nonresonant relaxation of the p -shell exciton conserves the exciton spin to a very high degree for both bright and dark exciton configurations.

  9. FINE STRUCTURES AND OVERLYING LOOPS OF CONFINED SOLAR FLARES

    Yang, Shuhong; Zhang, Jun [Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China); Xiang, Yongyuan, E-mail: shuhongyang@nao.cas.cn [Fuxian Solar Observatory, Yunnan Observatories, Chinese Academy of Sciences, Kunming 650011 (China)

    2014-10-01

    Using the Hα observations from the New Vacuum Solar Telescope at the Fuxian Solar Observatory, we focus on the fine structures of three confined flares and the issue why all the three flares are confined instead of eruptive. All the three confined flares take place successively at the same location and have similar morphologies, so can be termed homologous confined flares. In the simultaneous images obtained by the Solar Dynamics Observatory, many large-scale coronal loops above the confined flares are clearly observed in multi-wavelengths. At the pre-flare stage, two dipoles emerge near the negative sunspot, and the dipolar patches are connected by small loops appearing as arch-shaped Hα fibrils. There exists a reconnection between the small loops, and thus the Hα fibrils change their configuration. The reconnection also occurs between a set of emerging Hα fibrils and a set of pre-existing large loops, which are rooted in the negative sunspot, a nearby positive patch, and some remote positive faculae, forming a typical three-legged structure. During the flare processes, the overlying loops, some of which are tracked by activated dark materials, do not break out. These direct observations may illustrate the physical mechanism of confined flares, i.e., magnetic reconnection between the emerging loops and the pre-existing loops triggers flares and the overlying loops prevent the flares from being eruptive.

  10. Fine structure of the Mn acceptor in GaAs

    Krainov, I. V.; Debus, J.; Averkiev, N. S.; Dimitriev, G. S.; Sapega, V. F.; Lähderanta, E.

    2016-06-01

    We reveal the electronic level structure of the Mn acceptor, which consists of a valence-band hole bound to an Mn2 + ion, in presence of applied uniaxial stress and an external magnetic field in bulk GaAs. Resonant spin-flip Raman scattering is used to measure the g factor of the AMn0 center in the ground and excited states with the total angular momenta F =1 and F =2 and characterize the optical selection rules of the spin-flip transitions between these Mn-acceptor states. We determine the random stress fields near the Mn acceptor, the constant of the antiferromagnetic exchange interaction between the valence-band holes and the electrons of the inner Mn2 + shell as well as the deformation potential for the exchange energy. The p -d exchange energy, in particular, decreases significantly with increasing compressive stress. By combining the experimental Raman study with the developed theoretical model on the scattering efficiency, in which also the random local and external uniaxial stresses and magnetic field are considered, the fine structure of the Mn acceptor is determined in full detail.