research papers
A new statistical approach for modeling diffraction profiles is introduced, using Bayesian inference and a Markov chain Monte Carlo (MCMC) algorithm. This method is demonstrated by modeling the degenerate reflections during application of an electric field to two different ferroelectric materials: thin-film lead zirconate titanate (PZT) of composition PbZr0.3Ti0.7O3 and a bulk commercial PZT polycrystalline ferroelectric. The new method offers a unique uncertainty quantification of the model parameters that can be readily propagated into new calculated parameters.
Keywords: ferroelectric materials; Bayesian inference; domain switching fraction; modeling diffraction profiles.
Supporting information
Portable Document Format (PDF) file https://doi.org/10.1107/S1600576716020057/pd5089sup1.pdf | |
Text file https://doi.org/10.1107/S1600576716020057/pd5089sup2.txt | |
Microsoft Excel (XLSX) file https://doi.org/10.1107/S1600576716020057/pd5089sup3.xlsx | |
Text file https://doi.org/10.1107/S1600576716020057/pd5089sup4.txt |