Structural analysis of complex materials using the atomic pair distribution function - A practical guide

Th Proffen, S. J.L. Billinge, T. Egami, D. Louca

Research output: Contribution to journalReview articlepeer-review

273 Scopus citations

Abstract

Modern materials and their properties are often characterized by varying degrees of disorder. Routine crystallographic structure solution only reveals the average structure. The study of Bragg and diffuse scattering yields the local atomic arrangements holding the key to understanding increasingly complex materials. In this paper we review the pair distribution function technique used to unravel the local structure. We aim to give a practical overview and make this method easily accessible to the wider scientific community.

Original languageEnglish
Pages (from-to)132-143
Number of pages12
JournalZeitschrift fur Kristallographie
Volume218
Issue number2
DOIs
StatePublished - 2003
Externally publishedYes

Funding

Acknowledgments. We would like to thank Peter Peterson and Valeri Petkov for their help in preparing this paper. This work was in part supported by the National Science Foundation through grants DMR-0075149 and CHE-9903706 and by the U.S. Department of Energy through grants DE-FG02-97ER45651 and DE-FG02-01ER45927. This work has benefited from the use of the Intense Pulsed Neutron Source at Argonne National Laboratory, funded by the U.S. Department of Energy, BES-Materials Science, under Contract W-31-109-Eng-38, and from the use of the Los Alamos Neutron Science Center at the Los Alamos National Laboratory, funded by the US Department of Energy under contract W-7405-ENG-36 as well as CHESS, operated by NSF through grant DMR-9713242.

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