Structural instability of EuTiO3 from X-ray powder diffraction

Köhler, J.; Dinnebier, R. E.; Bussmann-Holder, A.

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Structural instability of EuTiO₃ from X-ray powder diffraction

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Köhler, J.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Nanochemistry (Bettina V. Lotsch), Max Planck Institute for Solid State Research, Max Planck Society;

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Dinnebier, R. E.
Scientific Facility X-Ray Diffraction (Robert E. Dinnebier), Max Planck Institute for Solid State Research, Max Planck Society;

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Bussmann-Holder, A.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Electronic Structure Theory (Ali Alavi), Max Planck Institute for Solid State Research, Max Planck Society;
Department Physical Chemistry of Solids (Joachim Maier), Max Planck Institute for Solid State Research, Max Planck Society;
Department Nanochemistry (Bettina V. Lotsch), Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Köhler, J., Dinnebier, R. E., & Bussmann-Holder, A. (2012). Structural instability of EuTiO₃ from X-ray powder diffraction. Phase Transitions, 85(11), 949-955.

Cite as: https://hdl.handle.net/21.11116/0000-000E-C2A0-1

Abstract

We have recently predicted and subsequently verified experimentally by specific heat measurements that EuTiO3 undergoes a structural phase transition at elevated temperature T-S = 282 K. The origin of the phase transition has been attributed to the softening of a transverse acoustic mode stemming from an oxygen octahedral rotation analogous to SrTiO3. Here we demonstrate that the theoretical interpretation is correct by using high-resolution laboratory X-ray powder diffraction which evidences a cubic to tetragonal phase transition in EuTiO3. The room temperature structure could be refined in Pm (3) over barm with a 3.9082(2) angstrom and at 100 K the refinement in the tetragonal space group I4/mcm resulted in a = 5.5192(2) and c = 7.8164(8) angstrom.