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

Abstract:

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 en...

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Publication status:
Published

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Volume:
19
Issue:
33
Pages:
335216
Publication date:
2007-08-05
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
URN:
uuid:60f0c3a0-d6f9-4b9a-b0cd-853ce67e2650
Source identifiers:
50661
Local pid:
pubs:50661

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