Structural study of PbTiO3, PbZrO3and PbHfO3

Abstract
A technique has been developed for refining the atomic displacements in perovskite-type structures by integrated intensity measurements of X-ray reflections obtained from polycrystalline specimens by separating the reflections sensitive to atomic displacements. In this way the temperature changes of atomic displacements in PbTiO3 and PbZrO3 at their phase transitions have been determined. It has been established that the displacements existing in PbTiO3 and PbZrO3 at room temperature monotonously decrease with increasing temperature to certain critical values at the phase transitions. A small abrupt change has been revealed in the atom displacements and unit cell parameters at approximately 150°C. For the first time, displacements of Pb and Hf at room temperature have been determined.

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