Improved ab initio calculations of amplitude and phase functions for extended x-ray absorption fine structure spectroscopy

McKale, A. G.; Veal, B. W.; Paulikas, A. P.; Chan, S. H.; Knapp, G. S.

doi:10.1021/ja00220a008

Cited by 756 publications

(283 citation statements)

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“…The differences between experimental and theoretical distances are due to the phase-shift correction to be made in the EXELFS analysis. The correction can be calculated using the spherical-wave tabulated phase functions for Fe-L2,3 and O-K edges [16]. We obtained similar values around 0.22 À (variations in the second figure) for all corrections.…”

Section: Resultssupporting

confidence: 55%

Electron Energy Loss Spectroscopy Study of Iron Deposition in Human Alveolar Macrophages: Ferritin or Hemosiderin?

Diociaiuti

Falchi

Paoletti

1995

Microsc. Microanal. Microstruct.

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Abstract. 2014 Electron energy loss spectroscopy imaging (EELSI) was used to obtain Fe maps, with molecular resolution, in human alveolar macrophages. Fe concentrations were found in particular structures named siderosomes. The combined application of Extended energy loss fine structure (EX-ELFS) analysis, a "short-range " probe, and Selected area electron diffraction (SAED), a "long-range" probe, allowed us to investigate the atomic arrangement of proteins constituting the siderosomes. Results are compared with structural data obtained on purified proteins. It is found that the siderosomes seem to be constituted mainly by normal hemosiderins.

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Section: Resultssupporting

confidence: 55%

Electron Energy Loss Spectroscopy Study of Iron Deposition in Human Alveolar Macrophages: Ferritin or Hemosiderin?

Diociaiuti

Falchi

Paoletti

1995

Microsc. Microanal. Microstruct.

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“…The two-shell approximation was employed for curve-fitting. The phase shift and backscattering amplitude calculated from curved-wave theory 9) were used in the curve-fitting procedure. The results of the fitting are illustrated by solid lines in Fig.…”

Section: An Analysis Of Crystallization Process In Amorphous Alloys Umentioning

confidence: 99%

An Analysis of Crystallization Process in Amorphous Alloys Using Time-Scaling Factor

Takahara

Narita

2003

Mater. Trans.

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We have investigated the time-scaling properties of the isothermal crystallization process for Cu 66 Ti 34 and Zr 65 Cu 35 amorphous alloys by differential scanning calorimetry. Local atomic structures have also been studied by extended X-ray absorption fine structure (EXAFS) measurements. The results are discussed in comparison with the previous results obtained for metal-metalloid amorphous alloys. The timescaling factor is defined as the time when the crystallization has reached half completion. By rescaling the time axis for each annealing temperatures, the crystallization curves measured at various temperatures for each alloy can be superimposed on a single curve in each case. The Williams-Landel-Ferry formula based on a free-volume consideration gives a universal function for the temperature dependence of the timescaling factor for all the alloys. This suggests that we have to take into account the relaxation process occurring in the amorphous phase during the crystallization. The WLF analysis reveals that there exists a significant difference in the temperature dependence of the scaling factor between the metal-metal and metal-metalloid amorphous alloys. From the EXAFS study, such difference is considered to be due to the local structural differences between those two types of amorphous alloys.

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“…The theoretical values reported by McKale et al (1988) were used for the backscattering amplitudes of atoms and the phase shifts. The programs "XAFS93" and "MBF93" developed by one of the authors (Maeda) were used for the XAFS data analysis.…”

Section: Figure2mentioning

confidence: 99%

XAFS study on RbC₆₀

Kubozono¹,

Mimura²,

Takabayashi³

et al. 1999

J Synchrotron Radiat

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(RecievedThe Rb K-edge XAFS spectra for the stable phase of RbC60 which is a quasi one-dimensional polymer were measured in the temperature range from 14.6 to 210 K in order to clarify the origin of the metal-insulator transition around 50 K. The distances and mean-square relative displacements between the Rb atom and the neighboring C atoms determined by XAFS exhibited no change around 50 K, implying that the metalinsulator transition originates from the SDW instability.

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Improved ab initio calculations of amplitude and phase functions for extended x-ray absorption fine structure spectroscopy

Cited by 756 publications

References 1 publication

Electron Energy Loss Spectroscopy Study of Iron Deposition in Human Alveolar Macrophages: Ferritin or Hemosiderin?

Electron Energy Loss Spectroscopy Study of Iron Deposition in Human Alveolar Macrophages: Ferritin or Hemosiderin?

An Analysis of Crystallization Process in Amorphous Alloys Using Time-Scaling Factor

XAFS study on RbC₆₀

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Improved ab initio calculations of amplitude and phase functions for extended x-ray absorption fine structure spectroscopy

Cited by 756 publications

References 1 publication

Electron Energy Loss Spectroscopy Study of Iron Deposition in Human Alveolar Macrophages: Ferritin or Hemosiderin?

Electron Energy Loss Spectroscopy Study of Iron Deposition in Human Alveolar Macrophages: Ferritin or Hemosiderin?

An Analysis of Crystallization Process in Amorphous Alloys Using Time-Scaling Factor

XAFS study on RbC60

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XAFS study on RbC₆₀