Total scattering and pair distribution function analysis in modelling disorder in PZN (PbZn1/3Nb2/3O3)
-
Altmetric Citations
Whitfield, Ross; Goossens, Darren; Welberry, Thomas
Description
The ability of the pair distribution function (PDF) analysis of total scattering (TS) from a powder to determine the local ordering in ferroelectric PZN (PbZn1/3Nb2/3O3) has been explored by comparison with a model established using single-crystal diffuse scattering (SCDS). While X-ray PDF analysis is discussed, the focus is on neutron diffraction results because of the greater extent of the data and the sensitivity of the neutron to oxygen atoms, the behaviour of which is important in PZN....[Show more]
dc.contributor.author | Whitfield, Ross | |
---|---|---|
dc.contributor.author | Goossens, Darren | |
dc.contributor.author | Welberry, Thomas | |
dc.date.accessioned | 2018-11-29T22:57:06Z | |
dc.date.available | 2018-11-29T22:57:06Z | |
dc.identifier.issn | 2052-2525 | |
dc.identifier.uri | http://hdl.handle.net/1885/153745 | |
dc.description.abstract | The ability of the pair distribution function (PDF) analysis of total scattering (TS) from a powder to determine the local ordering in ferroelectric PZN (PbZn1/3Nb2/3O3) has been explored by comparison with a model established using single-crystal diffuse scattering (SCDS). While X-ray PDF analysis is discussed, the focus is on neutron diffraction results because of the greater extent of the data and the sensitivity of the neutron to oxygen atoms, the behaviour of which is important in PZN. The PDF was shown to be sensitive to many effects not apparent in the average crystal structure, including variations in the B-site—O separation distances and the fact that h110i Pb2+ displacements are most likely. A qualitative comparison between SCDS and the PDF shows that some features apparent in SCDS were not apparent in the PDF. These tended to pertain to short-range correlations in the structure, rather than to interatomic separations. For example, in SCDS the short-range alternation of the B-site cations was quite apparent in diffuse scattering at (1 1 1), whereas it 222 was not apparent in the PDF. | |
dc.format.mimetype | application/pdf | |
dc.publisher | International Union of Crystallography | |
dc.source | IUCrJ | |
dc.title | Total scattering and pair distribution function analysis in modelling disorder in PZN (PbZn1/3Nb2/3O3) | |
dc.type | Journal article | |
local.description.notes | Imported from ARIES | |
local.identifier.citationvolume | 3 | |
dc.date.issued | 2016 | |
local.identifier.absfor | 030304 - Physical Chemistry of Materials | |
local.identifier.absfor | 030206 - Solid State Chemistry | |
local.identifier.ariespublication | u8801298xPUB118 | |
local.type.status | Published Version | |
local.contributor.affiliation | Whitfield, Ross, College of Science, ANU | |
local.contributor.affiliation | Goossens, Darren, College of Science, ANU | |
local.contributor.affiliation | Welberry, Thomas, College of Science, ANU | |
local.bibliographicCitation.issue | 1 | |
local.bibliographicCitation.startpage | 20 | |
local.bibliographicCitation.lastpage | 31 | |
local.identifier.doi | 10.1107/S2052252515018722 | |
local.identifier.absseo | 970103 - Expanding Knowledge in the Chemical Sciences | |
dc.date.updated | 2018-11-29T08:15:39Z | |
local.identifier.scopusID | 2-s2.0-84953855198 | |
local.identifier.thomsonID | 000368590900005 | |
dcterms.accessRights | Open Access | |
Collections | ANU Research Publications |
Download
File | Description | Size | Format | Image |
---|---|---|---|---|
01_Whitfield_Total_scattering_and_pair_2016.pdf | 2.17 MB | Adobe PDF |
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.
Updated: 17 November 2022/ Responsible Officer: University Librarian/ Page Contact: Library Systems & Web Coordinator