Journal of Applied Crystallography

Volume 34, Part 4 (August 2001)

research papers

J. Appl. Cryst. (2001). 34, 493-495 [ doi:10.1107/S0021889801009426 ]

Correction for thermal diffuse scattering in single-crystal time-of-flight neutron diffraction: first applications

W. Jauch and J. Peters

Abstract: The thermal diffuse scattering (TDS) correction developed by Popa & Willis [Acta Cryst. (1997), A53, 537-545] for single-crystal pulsed neutron diffraction is examined via a series of experimental data sets collected at the spallation neutron source IPNS. The effect on the derived temperature parameter values is assessed and compared with reference structures obtained from gamma-ray diffraction. The importance of carrying out TDS corrections is emphasized. Suggestions are made regarding the method of evaluation of the TDS in situations where the elastic constants are unknown.

Keywords: thermal diffuse scattering; time-of-flight neutron diffraction; temperature parameters.