Local structure in BaTi<sub>1−<i>x</i></sub>Zr<sub><i>x</i></sub>O<sub>3</sub> relaxors from neutron pair distribution function analysis
| hal.structure.identifier | Laboratoire des matériaux et du génie physique [LMGP ] | |
| dc.contributor.author | LAULHÉ, Claire | |
| hal.structure.identifier | Laboratoire des matériaux et du génie physique [LMGP ] | |
| dc.contributor.author | HIPPERT, Francoise | |
| hal.structure.identifier | Laboratoire Léon Brillouin [LLB - UMR 12] | |
| hal.structure.identifier | LLB - Matière molle et biophysique [MMB] | |
| dc.contributor.author | BELLISSENT, R. | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | SIMON, Annie | |
| hal.structure.identifier | Institut Laue-Langevin [ILL] | |
| dc.contributor.author | CUELLO, Gabriel | |
| dc.date.issued | 2009-02-09 | |
| dc.identifier.issn | 1098-0121 | |
| dc.description.abstractEn | The<sup> </sup>pair distribution functions (PDF) of BaTi<sub>1−<i>x</i></sub>Zr<sub><i>x</i></sub>O<sub>3</sub> (BTZ) relaxors (<i>x</i>=0.25,0.32,0.35), as<sup> </sup>well as those of the end members BaTiO<sub>3</sub> and BaZrO<sub>3</sub>,<sup> </sup>were determined at 300 K from neutron powder scattering data.<sup> </sup>In the relaxors, the PDF provides direct evidence that the<sup> </sup>Ti and Zr atoms do not occupy the equivalent octahedral<sup> </sup>sites expected from the crystallographic cubic perovskite structure. It is<sup> </sup>shown that the TiO<sub>6</sub> and ZrO<sub>6</sub> octahedra in BTZ relaxors<sup> </sup>are instead similar to those observed in BaTiO<sub>3</sub> and BaZrO<sub>3</sub>,<sup> </sup>respectively. In BaZrO<sub>3</sub>, the Zr atoms lie at the center<sup> </sup>of regular oxygen octahedra, forming nonpolar ZrO<sub>6</sub> units. In the<sup> </sup>tetragonal ferroelectric phase of BaTiO<sub>3</sub>, the distribution of Ti-O distances<sup> </sup>within TiO<sub>6</sub> octahedra is found compatible with a displacement of<sup> </sup>the Ti atoms in the [111]<sub><i>p</i></sub> direction of the pseudocubic<sup> </sup>perovskite cell. We conclude that the local polarization in BTZ<sup> </sup>relaxors is mainly due to the displacements of the Ti<sup> </sup>atoms and that moreover the Ti displacements are very similar<sup> </sup>in BTZ relaxors and in the classical ferroelectric BaTiO<sub>3</sub>. | |
| dc.language.iso | en | |
| dc.publisher | American Physical Society | |
| dc.subject.en | Barium compounds | |
| dc.subject.en | Crystal structure | |
| dc.subject.en | Ferroelectric ceramics | |
| dc.subject.en | Neutron diffraction | |
| dc.subject.en | Relaxor ferroelectrics | |
| dc.title.en | Local structure in BaTi<sub>1−<i>x</i></sub>Zr<sub><i>x</i></sub>O<sub>3</sub> relaxors from neutron pair distribution function analysis | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1103/PhysRevB.79.064104 | |
| dc.subject.hal | Chimie/Matériaux | |
| dc.subject.hal | Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci] | |
| bordeaux.journal | Physical Review B: Condensed Matter and Materials Physics (1998-2015) | |
| bordeaux.page | 064104 (10 p.) | |
| bordeaux.volume | 79 | |
| bordeaux.issue | 6 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00360257 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00360257v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Physical%20Review%20B:%20Condensed%20Matter%20and%20Materials%20Physics%20(1998-2015)&rft.date=2009-02-09&rft.volume=79&rft.issue=6&rft.spage=064104%20(10%20p.)&rft.epage=064104%20(10%20p.)&rft.eissn=1098-0121&rft.issn=1098-0121&rft.au=LAULH%C3%89,%20Claire&HIPPERT,%20Francoise&BELLISSENT,%20R.&SIMON,%20Annie&CUELLO,%20Gabriel&rft.genre=article |
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