A Gaussian-Hermite polynomials function for X-ray diffraction profile fitting

Citation
F. Sanchez-bajo et Fl. Cumbrera, A Gaussian-Hermite polynomials function for X-ray diffraction profile fitting, J APPL CRYS, 32, 1999, pp. 730-735
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF APPLIED CRYSTALLOGRAPHY
ISSN journal
00218898 → ACNP
Volume
32
Year of publication
1999
Part
4
Pages
730 - 735
Database
ISI
SICI code
0021-8898(19990801)32:<730:AGPFFX>2.0.ZU;2-2
Abstract
In recent years, several profile-shape functions have been successfully use d in X-ray powder diffraction studies. Here, a new profile function for app roximating 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 alp ha-Al2O3 and 9-YSZ (yttria-stabilized zirconia), yielding generally satisfa ctory results.