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Related Experiment Videos

Systematic intensity errors caused by spectral truncation: origin and remedy.

A T Lenstra1, J F Van Loock, B Rousseau

  • 1Department of Chemistry, University of Antwerp (UIA), Universiteitsplein 1, B-2610 Antwerpen, Belgium. lenstra@uia.ua.ac.be

Acta Crystallographica. Section A, Foundations of Crystallography
|October 27, 2001
PubMed
Summary

This study quantifies X-ray beam monochromaticity using graphite monochromators, finding it decreases with wavelength. A spectral modeling routine corrects for scan-angle-induced errors, ensuring accurate crystallographic analysis.

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Area of Science:

  • Materials Science
  • Crystallography
  • X-ray Optics

Background:

  • X-ray beam quality, specifically monochromaticity and homogeneity, is crucial for accurate crystallographic studies.
  • Graphite and Silicon (Si) monochromators are commonly used, each with distinct properties affecting beam characteristics.

Purpose of the Study:

  • To determine the wavelength dispersion of graphite(002)-monochromated X-ray beams for various X-ray tubes (Cu, Mo, Rh).
  • To investigate the impact of monochromator properties (absorption coefficient, mosaicity) on beam monochromaticity and homogeneity.
  • To develop and apply a spectral modeling routine for correcting scan-angle-induced spectral truncation errors.

Main Methods:

  • Experimental determination of wavelength dispersion (Deltalambda/lambda) for graphite monochromators with Cu, Mo, and Rh X-ray tubes.

Related Experiment Videos

  • Comparison with Silicon (Si) monochromators to highlight differences in monochromaticity based on absorption coefficients.
  • Development of a spectral modeling routine to analyze X-ray spectra (characteristic lines and Bremsstrahlung) and calculate truncation errors.

    • Main Results:

    • Graphite monochromators showed significant wavelength dispersion (Deltalambda/lambda = 0.03-0.16), decreasing monochromaticity with increasing wavelength.
    • Silicon monochromators exhibited superior monochromaticity (Deltalambda/lambda ≈ 0.03) due to higher absorption coefficients.
    • Mosaicity in graphite monochromators enhances beam homogeneity, while Si's lack of mosaicity leads to intensity distribution mirroring the X-ray source.

    Conclusions:

    • Graphite monochromators are attractive for beam homogeneity despite poor monochromaticity at short wavelengths, necessitating correction for spectral truncation errors.
    • A proposed spectral modeling routine effectively corrects for systematic intensity errors in omega/2theta scans.
    • The findings validate previous structural analyses, such as the study on NiSO4*6H2O, by accounting for beam spectral characteristics.