(Ca0.37Sr0.63)TiO3 perovskite - an example of an unusual class of tilted perovskites

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dc.contributor.authorHoward, CJen_AU
dc.contributor.authorWithers, RLen_AU
dc.contributor.authorKnight, KSen_AU
dc.contributor.authorZhang, Zen_AU
dc.date.accessioned2010-09-02T04:35:32Zen_AU
dc.date.available2010-09-02T04:35:32Zen_AU
dc.date.issued2008-04-02en_AU
dc.date.statistics2008-04-02en_AU
dc.description.abstractThe structure of Ca0.37Sr0.63TiO3 perovskite has been carefully investigated using electron and neutron diffraction. Electron diffraction supports the supercell and Pbcm space group previously proposed, while high resolution neutron powder diffraction data provide the basis for a new structure refinement. The distortions of the resultant structure relative to the ideal parent perovskite structure type have been decomposed into normal modes. It is found that the primary modes of distortion are octahedral tilting modes associated with the R point (k = [1/2, 1/2, 1/2]∗) and the ξ = 1/4 point on the T line of symmetry (k = [1/2, 1/2, ξ]∗). There is a smaller secondary, probably induced, mode of distortion involving antiferroelectric displacements of the Ti cations associated with the ξ = 1/4 point on the T line of symmetry (k = [0, 0, ξ]∗). This compound provides one of the very few currently known examples of a tilted perovskite structure that shows tilting modes associated with the ubiquitous k = (1/2, 1/2, ξ)∗ modulation wavevectors for a value of ξ different from 0 and 1/2. © 2008, Institute of Physicsen_AU
dc.identifier.articlenumber135202en_AU
dc.identifier.citationHoward, C. J., Withers, R. L., Knight, K. S., & Zhang, Z. (2008). (Ca0.37sr0.63)tio3 perovskite - an example of an unusual class of tilted perovskites. Journal of Physics: Condensed Matter, 20(13), 135202. doi:10.1088/0953-8984/20/13/135202en_AU
dc.identifier.govdoc2586en_AU
dc.identifier.issn0953-8984en_AU
dc.identifier.issue13en_AU
dc.identifier.journaltitleJournal of Physics: Condensed Matteren_AU
dc.identifier.urihttp://dx.doi.org/10.1088/0953-8984/20/13/135202en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/2426en_AU
dc.identifier.volume20en_AU
dc.language.isoenen_AU
dc.publisherInstitute of Physicsen_AU
dc.subjectPerovskiteen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectElectron diffractionen_AU
dc.subjectCationsen_AU
dc.subjectCrystal structureen_AU
dc.subjectAntiferroelectric materialsen_AU
dc.title(Ca0.37Sr0.63)TiO3 perovskite - an example of an unusual class of tilted perovskitesen_AU
dc.typeJournal Articleen_AU
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