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dc.contributor.authorAamlid, Solveig Stubmo
dc.contributor.authorSelbach, Sverre Magnus
dc.contributor.authorGrande, Tor
dc.date.accessioned2021-01-08T13:07:57Z
dc.date.available2021-01-08T13:07:57Z
dc.date.created2020-07-02T10:21:22Z
dc.date.issued2020
dc.identifier.citationInorganic Chemistry. 2020, 59 (12), 8514-8521.en_US
dc.identifier.issn0020-1669
dc.identifier.urihttps://hdl.handle.net/11250/2722212
dc.description.abstractThe crystal structure of the ferroelastic and ferroelectric tungsten bronze Ba2NaNb5O15 (BNN) has been debated. Here, we re-examine the crystal structure of BNN by ambient powder X-ray diffraction combined with density functional theory calculations. We demonstrate that the room temperature space group is Cmm2 with significant cation disorder on the Ba and Na cation sublattices. Density functional theory calculations reveal a relatively flat energy landscape between structures of different symmetries, including the energetics of cation disorder. We also study the structural evolution and the ferroelectric and ferroelastic phase transitions by high-temperature X-ray diffraction and dilatometry. The ferroelectric phase transition at 570 °C is of first order and cause the cell to expand in the c direction, while the ferroelastic distortion starting at 270 °C takes place in the ab plane and does not affect the polarization. The phase transitions are not coupled, which means that BNN is a ferroic material with two primary and uncoupled order parameters.en_US
dc.language.isoengen_US
dc.publisherAmerican Chemical Societyen_US
dc.rightsNavngivelse 4.0 Internasjonal*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/deed.no*
dc.titleStructural Evolution of Ferroelectric and Ferroelastic Barium Sodium Niobate Tungsten Bronzeen_US
dc.typePeer revieweden_US
dc.typeJournal articleen_US
dc.description.versionpublishedVersionen_US
dc.source.pagenumber8514-8521en_US
dc.source.volume59en_US
dc.source.journalInorganic Chemistryen_US
dc.source.issue12en_US
dc.identifier.doi10.1021/acs.inorgchem.0c00958
dc.identifier.cristin1818227
dc.relation.projectNotur/NorStore: NN9264Ken_US
dc.description.localcodeCopyright © 2020 American Chemical Society. This is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.en_US
cristin.ispublishedtrue
cristin.fulltextoriginal
cristin.fulltextpostprint
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cristin.qualitycode2


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