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A Gaussian–Hermite polynomials function for X‐ray diffraction profile fitting
Author(s) -
SánchezBajo F.,
Cumbrera F. L.
Publication year - 1999
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889899004288
Subject(s) - hermite polynomials , diffraction , gaussian , function (biology) , gaussian function , series (stratigraphy) , cubic zirconia , mathematics , materials science , optics , mathematical analysis , physics , quantum mechanics , composite material , geology , paleontology , ceramic , evolutionary biology , biology
In recent years, several profile‐shape functions have been successfully used in X‐ray powder diffraction studies. Here, a new profile function for approximating the X‐ray diffraction peaks is proposed. This model, based on a Gaussian function multiplied by a correction factor in the form of a series expansion in Hermite polynomials, can be employed in the cases where there are peak asymmetries. The function has been tested by using samples of α‐Al 2 O 3 and 9‐YSZ (yttria‐stabilized zirconia), yielding generally satisfactory results.