Phonons from powder diffraction: A quantitative model-independent evaluation

Andrew L. Goodwin; Matthew G. Tucker; Martin T. Dove; David A. Keen

doi:10.1103/PhysRevLett.93.075502

Phonons from powder diffraction: A quantitative model-independent evaluation

Andrew L. Goodwin, Matthew G. Tucker, Martin T. Dove, David A. Keen

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27 Scopus citations

Abstract

A model-independent approach for the extraction of detailed lattice dynamics information from neutron powder diffraction data is discussed. The approach is based on the statistical analysis of atomistic configurations generated using reverse monte carlo structural refinement. The phonon dispersion curves for magnesia extracted, are shown to reproduce many of the important features as those found in the independently determined neutron-triple-axis spectroscopy. The results show that it is possible to extract relatively complex and valuable dynamics information from powder diffraction data of nontrivial systems.

Original language	English
Article number	075502
Pages (from-to)	075502-1-075502-4
Journal	Physical Review Letters
Volume	93
Issue number	7
DOIs	https://doi.org/10.1103/PhysRevLett.93.075502
State	Published - Aug 13 2004
Externally published	Yes

Funding

We acknowledge support from the EPSRC (UK) and from Trinity College, Cambridge to A. L. G. We are grateful to Dr. Kostya Trachenko for his assistance with the MD simulations.

Funders	Funder number
Trinity College, Cambridge
Engineering and Physical Sciences Research Council

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10.1103/PhysRevLett.93.075502

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Phonons from powder diffraction: A quantitative model-independent evaluation

Abstract

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