Novel structural features and phase transition behaviour of (Sr<SUB>1-x</SUB>Ca<SUB>x</SUB>)TiO<SUB>3</SUB>: I. Neutron diffraction study
- Ranjan, Rajeev
- Pandey, Dhananjai
- Siruguri, V.
- Krishna, P. S. R.
- Paranjpe, S. K.
DOIAbstract
Superlattice reflections observed for the first time in the room temperature powder neutron diffraction patterns of SCTSr1-xCax)TiO3, x ≥ 0.12 are shown to arise due to tilting of TiO6 octahedra. Rietveld refinement of the neutron diffraction data confirms that the structure of SCT for x ≥ 0.12 is orthorhombic similar to that of CaTiO3. Implications of the presence of tilted TiO6 octahedra and the associated off-centre displacements of Sr3+/Ca2+ in SCT are discussed in detail with regard to the quantum ferroelectric behaviour of SCT at low temperatures. Structural phase transitions in SCT with x = 0.06 and 0.12 are also reported
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