Temperature-Induced Reversible and Irreversible Transitions between Metastable Perovskite Phases in the BiFe1-yScyO3 Solid Solutions


The antipolar orthorhombic Pnma phase with the root 2a(p) x 4a(p) x 2 root 2a(p) superstructure (a(p) similar to 4 angstrom is the pseudocubic perovskite unit-cell parameter) is observed in many perovskite compositions derived from BiFeO3. Temperature-induced structural transformations in metastable perovskite solid solutions with the Pnma structure corresponding to the range of 0.30 <= y <= 0.60 of the (1-y)BiFeO3-yBiScO(3) quasi binary system were studied using temperature X-ray and neutron powder diffraction. These compositions cannot be prepared in bulk form at ambient pressure but can be stabilized in the Pnma phase by means of quenching after synthesis under high pressure. The compositions were investigated in situ between 1.5 K and the temperature of the stability limit of their metastable phases (about 870-920 K). It has been found that heating the as-prepared compositions with the Pnma phase leads to formation of the rhombohedral R3c phase (root 2a(p) x root 2a(p) x 2 root 3a(p)), which, on cooling down to room temperature, either remains or transforms into a polar orthorhombic Ima2 phase (root 2a(p) x root 2a(p) x 2 root 2a(p)). The observed phase transformations in the BiFe1-yScyO3 perovskite series on heating and on cooling are considered in terms of geometrical factors.




Crystallography; Materials Science


Salak, AN; Khalyavin, DD; Eardley, E; Olekhnovich, NM; Pushkarev, AV; Radyush, YV; Shilin, AD; Rubanik, VV

nossos autores


This work was supported by project TUMOCS. This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No 645660.

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