Local structure underlying anomalous tetragonal distortions in BiFeO3-PbTiO3 ferroelectrics

Abstract

Erratum: "Local structure underlying anomalous tetragonal distortions in BiFeO3-PbTiO3 ferroelectrics" [Appl.The local structure of tetragonal BiFeO 3 -PbTiO 3 solid solutions featuring anomalous lattice distortions has been determined using simultaneous fitting of neutron total scattering and extended X-ray absorption fine structure data. On the local scale, the large tetragonal distortion, promoted by the displacements of the A-cations (Bi and Pb), is accommodated primarily by the [FeO 6 ] octahedra, even though both Fe and Ti acquire (5þ1)-fold coordination. Bi cations exhibit considerably larger displacements than Pb. The combination of the A-cation displacements and the ability of M-cations to adopt 5-fold coordination is suggested as key for stabilizing the large tetragonality in BiMO 3 -PbTiO 3 systems. V C 2014 AIP Publishing LLC. [http://dx.

Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics

“…Similar differences between the local and average atomic displacements are observed in other dielectrics, such as KNbO 3 14, AgNbO 3 16, and Bi 2 Ti 2 O 7 17. Moreover, typical systems of practical interest are solid solutions, for which differences between the local and average structures are unavoidable, as exemplified by recent detailed studies of atomic displacements in several complex-oxide dielectrics and ferroelectrics18192021222324.…”

Designing pseudocubic perovskites with enhanced nanoscale polarization

“…The Pb0.45Bi0.55Ti0.45Fe0.55O3 solid solution is tetragonal with an anomalously large c/a 1.17 and TC 625 °C [21,22]. Evidently, substitution of 11 mol Ti-doped NdFeO3 is sufficient to suppress this distortion with the resulting diffraction peaks being the narrowest among the three systems (Fig.…”

“…X-ray diffraction patterns for the 0.91KBT-0.09BNFT (t=1.015 [22]), 0.85BT-0.15BNFT (t=1.044), and 0.4PT-0.6BNFT (t=0.976) compositions (Fig. S1) could all be accounted for by a single cubic perovskite phase.…”

“…While Nd exhibits a small ionic radius and, as such, could be displaced off-center, it is known, as other rare-earth cations, to suppress the ferroelectric behavior in compounds like BaTiO3 and BiFeO3 [16,20]. The Fe 3+ (R=0.645 Å) ions are non-ferroelectric but support large lattice distortions in the tetragonal PbTiO3-BiFeO3 phase [21,22], and, thus, may not necessarily act species. While the pseudocubic phase in KBT-BNFT has been reported previously [8], we included it here for consistency and a more detailed characterization of its structure.…”

Superior Energy‐Storage Capacitors with Simultaneously Giant Energy Density and Efficiency Using Nanodomain Engineered BiFeO3‐BaTiO3‐NaNbO3 Lead‐Free Bulk Ferroelectrics

“…[49] Besides, the addition of MnO 2 and BCB shows an effect of retarding grain growth and interferes with the chemical homogenization during sintering. As known, BF exhibits a large lattice distortion owing to both Bi 6s-O 2p and Fe 3d-O 2p orbital hybridization, [50,51] yet Na and Ba exhibit a strong ionic character, showing little contribution to the polarization owing to lack of orbital hybridization. As a result, relatively large PNRs can be formed at the BF-rich regions.…”