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The Importance of Multisite Correlations in Disordered Structures

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Date

2004

Authors

Welberry, Thomas

Journal Title

Journal ISSN

Volume Title

Publisher

Taylor & Francis Group

Abstract

Monte Carlo simulation modelling techniques are used to demonstrate that in two example systems the observed highly structured diffuse scattering can be explained in terms of a simple model involving a multi-site interaction originating from a local crystal chemistry constraint. The two examples discussed involve O/F ordering in K3MoO3F3and Bi/Zn cation ordering in the cubic pyrochlore (Bi1.5Zn0.5)(Zn0.5Nb0.5)O7.

Description

Keywords

Keywords: Computer simulation; Crystal structure; Ferroelectric materials; Molecular structure; Monte Carlo methods; Positive ions; Cation ordering; Diffuse scattering; Multisite correlations; Short-range order (SRO); Correlation methods Diffuse scattering; Multisite correlations; Short-range order (SRO)

Citation

URI

http://hdl.handle.net/1885/79420

Collections

ANU Research Publications

Source

Ferroelectrics

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1080/00150190490462531

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