Compression mechanisms of ferroelectric PbTiO3 via high pressure neutron scattering

Frantti, J.; Fujioka, Y.; Molaison, J. J.; Boehler, R.; Haberl, B.; Tulk, C. A.; dos Santos, A. M.

doi:10.1088/1361-648x/aae342

Title: Compression mechanisms of ferroelectric PbTiO₃ via high pressure neutron scattering

Journal Article · 08 October 2018 · Journal of Physics. Condensed Matter

DOI: https://doi.org/10.1088/1361-648x/aae342 · OSTI ID:1843724

^[1]; Fujioka, Y. ^[1];

^[2]; Boehler, R. ^[3];

^[2];

^[2]

Finnish Research and Engineering, Helsinki (Finland)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Carnegie Inst. of Science, Washington, DC (United States). Geophysical Lab.

Switchable atomic displacements generate electric dipole moments in ferroelectric materials utilized in many contemporary devices. Lead titanate, a perovskite oxide with formula PbTiO₃, has been referred to as a textbook example of a prototype displacive ferroelectric and is a testing platform of widely used models of piezoelectric response of complex solid-solutions. PbTiO₃ has been addressed by experimental and computational studies, often with apparently conflicting conclusions. To date, hydrostatic pressure experiments have been interpreted in terms of a model in which the dipole moments gradually diminish with increasing pressure until a transition to a cubic phase, characterized by a zero average dipole moment, occurs. Additionally, the model unrealistically assumes an even compression of the crystal. Here we show by high-pressure neutron powder diffraction measurements that a fast and slow shrinkage of 12-oxygen cages around Pb and octahedra around Ti, respectively, takes place. A phase diagram consolidating earlier and present results is given.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1843724

Journal Information:: Journal of Physics. Condensed Matter, Journal Name: Journal of Physics. Condensed Matter Journal Issue: 43 Vol. 30; ISSN 0953-8984

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
compression
lead-titanate
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Title: Compression mechanisms of ferroelectric PbTiO3 via high pressure neutron scattering

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Title: Compression mechanisms of ferroelectric PbTiO₃ via high pressure neutron scattering