Revealing phase boundaries by weighted parametric structural refinement

In this study, a weighted parametric method is   demonstrated whereby the scale factor is restrained via an inverse tan function, making the phase boundary composition a refinable parameter. This is demonstrated using compositionally graded samples within the lead-free piezoelectric (BiFeO3)x(Bi0.5K0.5TiO3)y(Bi0.5Na0.5TiO3)1 – x – y and (Bi0.5Na0.5TiO3)x(BaTiO3)1 – x systems. This has proven to be an effective method for diffraction experiments with relatively low resolution, weak peak splitting or compositionally complex multiphase samples.

Source: Journal of Synchrotron Radiation - July 31, 2019 Category: Physics Authors: Marlton, F. Checchia, S. Daniels, J. Tags: parametrics powder diffraction ferroelectrics Rietveld refinement research papers Source Type: research