Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/8923
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dc.contributor.authorSu, He-Ping-
dc.contributor.authorLi, Shu-Fang-
dc.contributor.authorHan, Yifeng-
dc.contributor.authorWu, Mei-Xia-
dc.contributor.authorGui, Churen-
dc.contributor.authorChang, Yanfen-
dc.contributor.authorLi, Man-Rong-
dc.contributor.authorAdem, Umut-
dc.date.accessioned2020-07-18T08:34:08Z-
dc.date.available2020-07-18T08:34:08Z-
dc.date.issued2019-
dc.identifier.issn2050-7526-
dc.identifier.issn2050-7534-
dc.identifier.urihttps://doi.org/10.1039/c9tc03367j-
dc.identifier.urihttps://hdl.handle.net/11147/8923-
dc.description.abstractPredicted polymorph manipulation offers a cutting-edge route to design function-oriented materials in an exotic double perovskite-related oxide A(2)BB ' O-6 with small A-site cations. Herein, first-principles density functional theory calculations in light of the equation of state for solid, for the first time, was used to predict the Mg3TeO6 (R3)-to-perovskite (P2(1)/n) type phase transition in Mn3TeO6 at around 5 GPa, regardless of the deployment of magnetic interactions. The high-pressure synthesis and synchrotron diffraction crystal structure analysis corroborated experimentally the polymorph variation in Mn22+Mn2+Te6+O6, which was accompanied by a 13 K increase in the antiferromagnetic ordering temperature (37 K) in the high-pressure perovskite polymorph compared to that of the ambient-pressure R3 phase (24 K). The magnetodielectric coupling remains up to 50 K with the maximum being around the magnetic ordering temperature in the perovskite Mn3TeO6. Thus, the predicted polymorph manipulation here offers the possibility of discovering accelerated materials by inverse design in exotic perovskite oxides.en_US
dc.language.isoenen_US
dc.publisherRoyal Society of Chemistryen_US
dc.relation.ispartofJournal of Materials Chemistryen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.titlePredicted polymorph manipulation in an exotic double perovskite oxideen_US
dc.typeArticleen_US
dc.authorid0000-0002-2930-5567-
dc.institutionauthorAdem, Umut-
dc.departmentİzmir Institute of Technology. Materials Science and Engineeringen_US
dc.identifier.volume7en_US
dc.identifier.issue39en_US
dc.identifier.startpage12306en_US
dc.identifier.endpage12311en_US
dc.identifier.wosWOS:000490152800027en_US
dc.identifier.scopus2-s2.0-85073354347en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1039/c9tc03367j-
dc.relation.doi10.1039/c9tc03367jen_US
dc.coverage.doi10.1039/c9tc03367jen_US
dc.identifier.wosqualityQ1-
dc.identifier.scopusqualityQ1-
item.openairetypeArticle-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextopen-
item.fulltextWith Fulltext-
item.languageiso639-1en-
item.cerifentitytypePublications-
crisitem.author.dept03.09. Department of Materials Science and Engineering-
Appears in Collections:Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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