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Resolution of Overlapping X-Ray Fluorescence Peaks With the Pseudo-Voigt Function

Published online by Cambridge University Press:  06 March 2019

T. C. Huang  and
G. Lim
T. C. Huang
Affiliation:
IBM Almaden Research Center 650 Harry Road San Jose, CA 95120-6099
G. Lim
Affiliation:
IBM Almaden Research Center 650 Harry Road San Jose, CA 95120-6099
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Abstract

A method for resolving overlapping X-ray fluorescence spectra by curve fitting is described. The profile shape of an experimental fluorescence line obtained by wavelength dispersive method is represented by a simple pseudo-Voigt function, i.e. a sum of an asymmetric Gaussian and Lorentzian, each of equal width. Results showed that the pseudo-Voigt function matched the experimental profiles with high reliability. The relative Gaussian and Lorentzian contents and the asymmetry of the profiles depended upon the analyzing crystal, coliimating system and the 2θ peak position. For fixed crystal and collimator the smaller the 2θ, the larger the Gaussian content and the lower the asymmetry. The original Gaussian and Loretzian components of the exact Voigt function calculated from the parameters of the fitted pseudo-Voigt function explain the broadening effects of the X-ray emission lines and the instrumental aberrations on observed spectra. Curve fitting method with the psuedo- Voigt function has been used successfully to analyze overlapping fluorescence spectra. Examples and applications include a thin film sample where the Kα and the Kβ lines of adjacent transition elements overlap, and a strontium zirconium oxide specimen where the Zr Kα and the Sr Kβ lines strongly interfere. Concentrations obtained from the resolved individual peak intensities of Zr and Sr Kα lines are within ±1% of the true values.

Type
Research Article
Information
Advances in X-Ray Analysis , Volume 29: Thirty-Fourth Annual Conference on Applications of X-ray Analysis, August 5-9, 1985 , 1985 , pp. 461 - 468
Copyright
Copyright © International Centre for Diffraction Data 1985

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