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Real-space refinement of single-crystal electron diffuse scattering and its application to Bi 2 Ru 2 O 7- δ

Goodwin, A L; Withers, Raymond; Nguyen, Hai Binh

Description

A real-space atomistic refinement approach to the analysis of experimental electron diffraction patterns is described. The method employs the reverse Monte Carlo algorithm to produce atomistic configurations capable of qualitatively reproducing diffuse electron scattering patterns. Its implementation in the program EDRMC is described in detail, together with a number of additional constraints/restraints that can be used to guide the refinement process. In particular, appropriate restraints...[Show more]

CollectionsANU Research Publications
Date published: 2007
Type: Journal article
URI: http://hdl.handle.net/1885/49559
Source: Journal of Physics: Condensed Matter
DOI: 10.1088/0953-8984/19/33/335216

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