The use of analytical peak profile functions to fit diffraction data of planar faulted layer crystals by E. Estevez-Rams, A. Penton, J. Martinez-Garcia, and H. Fuess

Crystal Research and Technology

Cryst. Res. Technol. 40, 166 (2005) - Abstract -

The use of analytical peak profile functions to fit diffraction data of planar faulted layer crystals

E. Estevez-Rams, A. Penton*, J. Martinez-Garcia*, and H. Fuess**

Institute for Materials and Reagents (IMRE), University of Havana, San Lazaro y L. CP, 10400 C. Habana, Cuba
*Physics Faculty-IMRE, University of Havana, San Lazaro y L. CP, 10400 C. Habana, Cuba
**University of Technology Darmstadt, Institute for Materials Science, Petersenstr. 23, 64287 Darmstadt, Germany

Keywords	XRD pattern, peak profile functions, stacking faults
PACS	61.72.Nn, 61.72.Dd, 61.43.-j
DOI	10.1002/crat.200410320

The implication of the use of particular peak profile functions in the fit of diffraction data on the nature and density of stacking faults in layered solids is studied. Common type of profile functions are studied: Gauss, Lorentz, pseudoVoigt and Pearson VII. An additional peak profile is introduced. For each profile function the decaying term of the probability correlation function is determined and the expression for the correlation length is deduced. The form of the asymmetric component of each profile is also reported. Experimental data is fitted using each profile and the results are discussed.

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