Unprecedented lattice volume expansion on doping stereochemically active Pb2+ into uniaxially strained structure of CaBa1−xPbxZn2Ga2O7

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dc.contributor.authorJiang, PFen_AU
dc.contributor.authorNeuefeind, JCen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorHuang, QZen_AU
dc.contributor.authorYue, MFen_AU
dc.contributor.authorYang, XYen_AU
dc.contributor.authorCong, RHen_AU
dc.contributor.authorYang, Ten_AU
dc.date.accessioned2021-07-16T01:15:49Zen_AU
dc.date.available2021-07-16T01:15:49Zen_AU
dc.date.issued2020-03-11en_AU
dc.date.statistics2021-07-06en_AU
dc.description.abstractLone pair cations like Pb2+ are extensively utilized to modify and tune physical properties, such as nonlinear optical property and ferroelectricity, of some specific structures owing to their preference to adopt a local distorted coordination environment. Here we report that the incorporation of Pb2+ into the polar “114”-type structure of CaBaZn2Ga2O7 leads to an unexpected cell volume expansion of CaBa1-xPbxZn2Ga2O7 (0 ≤ x ≤ 1), which is a unique structural phenomenon in solid state chemistry. Structure refinements against neutron diffraction and total scattering data and theoretical calculations demonstrate that the unusual evolution of the unit cell for CaBa1-xPbxZn2Ga2O7 is due to the combination of the high stereochemical activity of Pb2+ with the extremely strained [Zn2Ga2O7]4− framework along the c-axis. The unprecedented cell volume expansion of the CaBa1−xPbxZn2Ga2O7 solid solution in fact is a macroscopic performance of the release of uniaxial strain along c-axis when Ba2+ is replaced with smaller Pb2+. This article is licensed under a Creative Commons Attribution 4.0 International License.en_AU
dc.identifier.citationJiang, P., Neuefeind, J. C., Avdeev, M., Huang, Q., Yue, M., Yang, X., Cong, R., & Yang, T. (2020). Unprecedented lattice volume expansion on doping stereochemically active Pb2+ into uniaxially strained structure of CaBa1−xPbxZn2Ga2O7. Nature Communications, 11(1), 1-7. doi:10.1038/s41467-020-14759-2en_AU
dc.identifier.issn2041-1723en_AU
dc.identifier.issue1en_AU
dc.identifier.journaltitleNature Communicationsen_AU
dc.identifier.pagination1-7en_AU
dc.identifier.urihttps://doi.org/10.1038/s41467-020-14759-2en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/11070en_AU
dc.identifier.volume11en_AU
dc.language.isoenen_AU
dc.publisherSpringer Natureen_AU
dc.subjectPhysical propertiesen_AU
dc.subjectCationsen_AU
dc.subjectFerroelectric materialsen_AU
dc.subjectExpansionen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectSolid solutionsen_AU
dc.titleUnprecedented lattice volume expansion on doping stereochemically active Pb2+ into uniaxially strained structure of CaBa1−xPbxZn2Ga2O7en_AU
dc.typeJournal Articleen_AU
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