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• W2029385265 endingPage "085204" @default.
• W2029385265 startingPage "085204" @default.
• W2029385265 abstract "The 17O electric field gradient (EFG) and chemical shift tensors have been determined in the paraelectric and ferroelectric phases of isotopically enriched BaTiO3 and SrTiO3 single crystals via 17O NMR. This is the first determination of the 17O EFG and chemical shift tensors in any oxide perovskite crystal. The difference in the 17O chemical shifts between BaTiO3 and SrTiO3 is relatively small, whereas there is a large difference in the 17O EFG tensors even in the cubic phases. Density functional theory calculations indicate that the difference in the 17O EFGs is due to a crystal cell volume effect together with effects due to the difference in ionic radii of Ba and Sr that result in a larger distortion of the nearly spherical charge distribution around the oxygen in BaTiO3." @default.
• W2029385265 created "2016-06-24" @default.
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• W2029385265 date "2008-02-01" @default.
• W2029385265 modified "2023-09-24" @default.
• W2029385265 title "¹⁷O quadrupole coupling and the origin of ferroelectricity in isotopically enriched BaTiO₃and SrTiO₃" @default.
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• W2029385265 doi "https://doi.org/10.1088/0953-8984/20/8/085204" @default.
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