Structural Modulations in the Intermediate Phase of Antiferroelectric PbHfO3

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  • Structural Modulations in the Intermediate Phase of Antiferroelectric PbHfO<sub>3</sub>

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金沢大学国際基幹教育院

We determine the crystal structure of the intermediate antiferroelectric (A2) phase of PbHfO3 by a Rietveld method using X-ray and neutron diffraction. The structure can be described by modulations associated with the lattice vibrational mode Σ3(TO) with q (0.15,0.15,0)and the Rxy 25 mode, although the latter modulation is relatively distorted. The size of the orthorhombic unit cell is p2 × 10p2 × 2 times as large as that of the high-temperature cubic cell. The space group is Pbam-D9 2h (No. 55), and is the same as that of the room-temperature antiferroelectric (A1) phase of PbHfO3. © 2018 Physical Society of Japan. All rights reserved.

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