Fitting_pair_distribution_function_with_backpropagation
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High-resolution X-ray total scattering data for BaTiO₃ were collected at the I15-1 beamline (Diamond Light Source, UK) using synchrotron radiation (λ=0.161669 Å). The temperature-dependent measurements (100-400 K) employed a borosilicate capillary-mounted powder sample, with data processed through standard correction protocols (background/multiple scattering/absorption) and Fourier transformation via GUDRUNX. Neutron total scattering data for PbZr₀.₆Ti₀.₄O₃ were acquired on the GEM diffractometer at ISIS spallation source (UK), with experimental details reported in [Zhang et al].
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2025-05-18



