research papers
An R-space approach to the simulation and fitting of a structural model to the experimental pair distribution function is described, to investigate the structural disorder (distance distribution and stacking faults) in close-packed metals. This is carried out by transferring the Debye function analysis into R space and simulating the low-angle and high-angle truncation for the evaluation of the relevant Fourier transform. The strengths and weaknesses of the R-space approach with respect to the usual Q-space approach are discussed.
Keywords: stacking faults; pair distribution function; Debye function analysis; close-packed metals; cobalt.
Supporting information
Portable Document Format (PDF) file https://doi.org/10.1107/S2053273319014578/vk5040sup1.pdf |