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Proffen, Thomas
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article
Reciprocal-space instrumental effects on the real-space neutron atomic pair distribution function
Abstract
<jats:p>An atomic pair distribution function (PDF) neutron powder diffraction round-robin experiment was performed on six diffractometers at three spallation sources. Instrument-specific effects on the real-space PDF were investigated, such as finite measurement range, the instrument resolution and the asymmetric shape of diffraction peaks. Two illustrative samples, a perfectly long-range-ordered element, Pb, and a locally strained alloy ZnSe<jats:sub>0.5</jats:sub>Te<jats:sub>0.5</jats:sub>, were measured at low temperatures. Various aspects of the PDF were explored, either qualitatively by direct comparison or quantitatively<jats:italic>via</jats:italic>structural modelling. Future implementation of modelling codes incorporating some of these instrumental effects are also discussed.</jats:p>