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  Structural instability of EuTiO3 from X-ray powder diffraction

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

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Item Permalink: https://hdl.handle.net/21.11116/0000-000E-C2A0-1 Version Permalink: https://hdl.handle.net/21.11116/0000-000E-C2A1-0
Genre: Journal Article

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Köhler, J.1, 2, Author           
Dinnebier, R. E.3, Author           
Bussmann-Holder, A.1, 2, 4, 5, Author           
Affiliations:
1Former Departments, Max Planck Institute for Solid State Research, Max Planck Society, ou_3370502              
2Department Nanochemistry (Bettina V. Lotsch), Max Planck Institute for Solid State Research, Max Planck Society, ou_3370482              
3Scientific Facility X-Ray Diffraction (Robert E. Dinnebier), Max Planck Institute for Solid State Research, Max Planck Society, ou_3370494              
4Department Electronic Structure Theory (Ali Alavi), Max Planck Institute for Solid State Research, Max Planck Society, ou_3370479              
5Department Physical Chemistry of Solids (Joachim Maier), Max Planck Institute for Solid State Research, Max Planck Society, ou_3370483              

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 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.

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Language(s): eng - English
 Dates: 2012
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: eDoc: 632880
ISI: 000310307300002
 Degree: -

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Title: Phase Transitions
Source Genre: Journal
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Pages: - Volume / Issue: 85 (11) Sequence Number: - Start / End Page: 949 - 955 Identifier: ISSN: 0141-1594