Low temperature structure and the ferroelectric phase transitions in the CdTiO3 perovskite

Abstract

The paraelectric-ferroelectric transition in CdTiO3 has been monitored using high resolution neutron diffraction data. This necessitated preparing a sample enriched in 114Cd. A subtle, but significant, anisotropy in the thermal expansion of the lattice parameters for CdTiO3 associated with the transition to the polar structure was observed. First-principles calculations are presented to understand energies, phonon dispersion, and structures of possible phases with different symmetries.