Probing the effect of ferroelectric to paraelectric phase transition on the Ti-3d and O-2p hybridization in BaTiO3.

We report the modifications in the electronic properties of single phase polycrystalline BaTiO3 due to ferroelectric to paraelectric phase transition revealed by temperature dependent synchrotron based x-ray absorption and valence band spectroscopy. Valence band spectra show a strong temperature dependence of Ti-3d and O-2p hybridized states around the phase transition. It is observed that Ti-O hybridization is stronger in the paraelectric phase, which is also supported by multiplet calculations at the Ti L-edge. We also find a reduced crystal field value in the paraelectric phase than in the ferroelectric phase, which is caused by volume expansion and a reduction in tetragonal distortion. [ABSTRACT FROM AUTHOR]