On the Pb thermal vibrations in PbHfO3 crystals

Abstract

In PbHfO3 single crystals the amplitude of the thermal vibrations for Pb ions in the high-temperature Pm3m phase, calculated from the Debye-Waller factor, reached unexpectedly large values. The random displacements of Pb ions were assumed and the new thermal vibration amplitude, which is more reasonable from the crystal lattice dynamics point of view, was calculated. A possible displacive-type phase transition was observed in the vicinity of 400 degrees C.