Alignment facility and software for single-crystal time-of-flight neutron spectroscopy

Zihao Liu; Harry Lane; Christopher D Frost; Russell A Ewings; J Paul Attfield; Chris Stock

doi:10.1107/S1600576721004234

Alignment facility and software for single-crystal time-of-flight neutron spectroscopy

J Appl Crystallogr. 2021 May 31;54(Pt 3):957-962. doi: 10.1107/S1600576721004234. eCollection 2021 Jun 1.

Authors

Zihao Liu¹, Harry Lane^{1

2

3}, Christopher D Frost³, Russell A Ewings³, J Paul Attfield², Chris Stock¹

Affiliations

¹ School of Physics and Astronomy, University of Edinburgh, Edinburgh EH9 3JZ, United Kingdom.
² School of Chemistry, University of Edinburgh, Edinburgh EH9 3FJ, United Kingdom.
³ ISIS Pulsed Neutron and Muon Source, STFC Rutherford Appleton Laboratory, Harwell Campus, Didcot, Oxon OX11 0QX, United Kingdom.

Abstract

An instrument and software algorithm are described for the purpose of characterization of large single crystals at the Alignment Facility of the ISIS spallation neutron source. A method for both characterizing the quality of the sample and aligning it in a particular scattering plane is introduced. A software package written for this instrument is presented, and its utility is demonstrated by way of an example of the structural characterization of large single crystals of Pb(Mg_1/3Nb_2/3)O₃. Extensions and modifications of characterization instruments for future improved beamlines are suggested. It is hoped that this software will be used by the neutron community for pre-characterizing large single crystals for spectroscopy experiments and that in the future such a facility will be included as part of the spectroscopy suite at other spallation neutron sources.

Keywords: characterization; neutrons; pole figures.

Grants and funding

This work was funded by Engineering and Physical Sciences Research Council grant . Science and Technology Facilities Council grant .