TY - JOUR
T1 - Reciprocal-space instrumental effects on the real-space neutron atomic pair distribution function
AU - Qiu, Xiangyun
AU - Božin, Emil S.
AU - Juhas, Pavol
AU - Proffen, Thomas
AU - Billinge, Simon J.L.
PY - 2004/2
Y1 - 2004/2
N2 - 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 0.5Te0.5, were measured at low temperatures. Various aspects of the PDF were explored, either qualitatively by direct comparison or quantitatively via structural modelling. Future implementation of modelling codes incorporating some of these instrumental effects are also discussed.
AB - 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 0.5Te0.5, were measured at low temperatures. Various aspects of the PDF were explored, either qualitatively by direct comparison or quantitatively via structural modelling. Future implementation of modelling codes incorporating some of these instrumental effects are also discussed.
UR - http://www.scopus.com/inward/record.url?scp=3242892225&partnerID=8YFLogxK
U2 - 10.1107/S0021889803026670
DO - 10.1107/S0021889803026670
M3 - Article
AN - SCOPUS:3242892225
SN - 0021-8898
VL - 37
SP - 110
EP - 116
JO - Journal of Applied Crystallography
JF - Journal of Applied Crystallography
IS - 1
ER -