The importance of multisite correlations in disordered structures

T. R. Welberry

doi:10.1080/00150190490462531

The importance of multisite correlations in disordered structures

T. R. Welberry^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

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.

Original language	English
Pages (from-to)	117-122
Number of pages	6
Journal	Ferroelectrics
Volume	305
DOIs	https://doi.org/10.1080/00150190490462531
Publication status	Published - 1 Jan 2004

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title = "The importance of multisite correlations in disordered structures",

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.",

keywords = "Diffuse scattering, Multisite correlations, Short-range order (SRO)",

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AB - 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.

KW - Diffuse scattering

KW - Multisite correlations

KW - Short-range order (SRO)

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M3 - Article

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VL - 305

SP - 117

EP - 122

JO - Ferroelectrics

JF - Ferroelectrics

ER -

The importance of multisite correlations in disordered structures

Abstract

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