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Assessing local structure in PbZn 1/3 Nb 2/3 O 3 using diffuse scattering and reverse Monte Carlo refinement

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dc.contributor.authorPasciak, Marek
dc.contributor.authorHeerdegen, Aidan
dc.contributor.authorGoossens, Darren
dc.contributor.authorWhitfield, Ross
dc.contributor.authorPietraszko, Adam
dc.contributor.authorWelberry, Thomas
dc.date.accessioned2015-12-10T23:35:37Z
dc.date.issued2013
dc.date.updated2016-02-24T08:55:26Z
dc.description.abstractWe use an extensive X-ray diffuse scattering dataset collected from the relaxor ferroelectric PbZn1/3Nb2/3O3 to study the feasibility of refining a nanoscale structure with the reverse Monte Carlo method. Six integer and non-integer reciprocal sections are used with a total number of nearly 105 symmetry-independent data points. Very good agreement between observed and calculated diffuse scattering patterns is achieved with rather subtle diffuse intensity modulations being satisfactorily reproduced. The correlations within the refined local structure are related to the possible physical mechanisms behind them. We discuss the ambiguity of the obtained results and feasible constraining schemes.
dc.identifier.issn1073-5623
dc.identifier.urihttp://hdl.handle.net/1885/69934
dc.publisherSpringer
dc.sourceMetallurgical and Materials Transactions A
dc.subjectKeywords: Data points; Data sets; Diffuse scattering; Diffuse scattering patterns; Intensity modulations; Local structure; Nanoscale structure; Physical mechanism; Relaxor ferroelectric; Reverse Monte Carlo method; Reverse monte carlo refinements; X-ray diffuse sca
dc.titleAssessing local structure in PbZn 1/3 Nb 2/3 O 3 using diffuse scattering and reverse Monte Carlo refinement
dc.typeJournal article
local.bibliographicCitation.issue1
local.bibliographicCitation.lastpage93
local.bibliographicCitation.startpage87
local.contributor.affiliationPasciak, Marek, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationHeerdegen, Aidan, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationGoossens, Darren, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationWhitfield, Ross, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationPietraszko, Adam, Polish Academy of Sciences
local.contributor.affiliationWelberry, Thomas, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidPasciak, Marek, u4782227
local.contributor.authoruidHeerdegen, Aidan, u9115508
local.contributor.authoruidGoossens, Darren, u4000307
local.contributor.authoruidWhitfield, Ross, u4133815
local.contributor.authoruidWelberry, Thomas, u7500616
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor091205 - Functional Materials
local.identifier.absseo970103 - Expanding Knowledge in the Chemical Sciences
local.identifier.absseo861002 - Ceramics
local.identifier.absseo869804 - Management of Solid Waste from Manufacturing Activities
local.identifier.ariespublicationf5625xPUB2165
local.identifier.citationvolume44
local.identifier.doi10.1007/s11661-012-1475-z
local.identifier.scopusID2-s2.0-84871985656
local.identifier.thomsonID000313718500013
local.type.statusPublished Version

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