Routine (an)isotropic crystallite size analysis in the double-Voigt approximation done right?

Beitrag in einer Fachzeitschrift

Details zur Publikation

Autorinnen und Autoren: Ectors D, Götz-Neunhoeffer F, Neubauer J
Zeitschrift: Powder Diffraction
Verlag: Cambridge University Press
Jahr der Veröffentlichung: 2017
Band: 32
Heftnummer: Supplement S1
Seitenbereich: 1-8
ISSN: 1945-7413


In this study, the application of (an)isotropic size determination using a recently proposed model for the double-Voigt approach is demonstrated and validated against line profile simulations using the Whole Powder Pattern Modelling approach. The fitting of simulated line profiles demonstrates that the attained crystallite sizes and morphologies are in very reasonable agreement with the simulated values and thus demonstrate that even in routine application scenarios credible size and morphology information can be obtained using the double-Voigt approximation. The aim of this contribution is to provide a comprehensive introduction to the problem, address the practical application of the developed model, and discuss the accuracy of the double-Voigt approach and derived size parameters. Mathematical formulations for the visualization of modeled morphologies, supporting the application of the recently developed macros, are additionally provided.

FAU-Autorinnen und Autoren / FAU-Herausgeberinnen und Herausgeber

Ectors, Dominique
Lehrstuhl für Mineralogie
Götz-Neunhoeffer, Friedlinde Prof. Dr.
Naturwissenschaftliche Fakultät
Neubauer, Jürgen apl. Prof. Dr.
Naturwissenschaftliche Fakultät


Neue Materialien und Licht-Materie-Wechselwirkung
Forschungsschwerpunkt einer Fakultät: Naturwissenschaftliche Fakultät
Neue Materialien und Prozesse
Forschungsschwerpunkt einer Fakultät: Technische Fakultät


Ectors, D., Götz-Neunhoeffer, F., & Neubauer, J. (2017). Routine (an)isotropic crystallite size analysis in the double-Voigt approximation done right? Powder Diffraction, 32(Supplement S1), 1-8.

Ectors, Dominique, Friedlinde Götz-Neunhoeffer, and Jürgen Neubauer. "Routine (an)isotropic crystallite size analysis in the double-Voigt approximation done right?" Powder Diffraction 32.Supplement S1 (2017): 1-8.


Zuletzt aktualisiert 2018-20-12 um 16:17