An x-ray diffraction and EXAFS study of the electric-field-induced PbZrO3 ferroelectric phase

A structural study of a PbZrO3 electric-field-induced ferroelectric phase has been performed using single-crystal x-ray diffraction and EXAFS techniques. The polar axis was found to be orthogonal to the direction of atomic displacements in the initial antiferroelectric phase. The ferroelectric properties of the phase are due to a Pb displacement of about 0.17 Angstrom relative to the oxygen framework along the polar axis. The Zr atoms are disordered between two symmetry-related positions and shifted mainly orthogonally to the polar axis. The results obtained by the two methods of crystal structure investigation are in good agreement.