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The use of analytical peak profile functions to fit diffraction data of planar faulted layer crystals
Author(s) -
EstevezRams E.,
Penton A.,
MartinezGarcia J.,
Fuess H.
Publication year - 2005
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.200410320
Subject(s) - diffraction , planar , stacking , correlation function (quantum field theory) , function (biology) , lorentz transformation , chemistry , probability density function , layer (electronics) , molecular physics , materials science , condensed matter physics , computational physics , physics , optics , mathematics , statistics , classical mechanics , computer graphics (images) , spectral density , evolutionary biology , computer science , biology , organic chemistry
Abstract 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. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)