Figure 2
Scale factor weighting functions used in the weighted parametric Rietveld refinement. These inverse tan functions have been tailored such that they act as a switch between 1 and 0, with parameters that can be refined for a particular phase transition. The parameter b corresponds to the phase boundary composition, whereas c is related to the phase boundary width, where co-existence of two crystal symmetries may occur; this is indicated by the shaded orange region. |