Fig. 3: QCBED refinement results of FCC FePd.
From: Revealing disorder parameter and deformation electron density using electron diffraction
a Crystal structure model and projected atomic columns along the [110] zone axis of disordered FCC FePd. b Simulation of SAED pattern along the [110] zone axis, and the MBOZA CBED pattern in Fig. 2d re-indexed using FCC unit cell. c The change of \({R}_{w}\) as more structure factors are included in QCBED refinement. d QCBED refinement results showing the observed intensity (obs., I), calculated intensity (cal.) with fixed independent atom model (IAM) \({F}_{g}^{X}\) (II), and calculated intensity after relaxing \({F}_{g}^{X}\) (III), for six diffraction discs (\(000\)), (\(1\bar{1}\bar{1}\)), (\(002\)), (\(2\bar{2}0\)), (\(1\bar{1}3\)), and (\(2\bar{2}2\)). The difference maps (diff., defined as |obs. - cal.|) are shown in (II-I) and (III-I). Blue rectangles denote central regions that are dominated by dynamic diffraction. e–h Refinement results as a function of thickness for different probe sizes: \({B}_{{\mbox{iso}}}\) (e), F111 (f), F200 (g), and \({F}_{220}\) (h). The grey dashed lines in (f–h) represent the IAM values. Source data are provided as a Source Data file.
