The relation between the local and the average structure of rhombohedral ferroelectric PbHf0.9Ti0.1O3

N. Sicron; E. A. Stern; Y. Yacoby

doi:10.1016/s0022-3697(99)00288-7

The relation between the local and the average structure of rhombohedral ferroelectric PbHf_0.9Ti_0.1O₃

N. Sicron
, E. A. Stern
, Y. Yacoby

Research output: Contribution to journal › Conference article › peer-review

4 Scopus citations

Abstract

The local structure of the rhombohedral perovskite PbHf_0.9Ti_0.1O₃ was studied using Pb, Hf and Ti X-ray absorption fine structure (XAFS). XAFS data were analyzed by fitting a parameterized theoretical spectrum to the experimental data. It was found that the structure of the TiO₆ octahedron is very different from the structure of the HfO₆ octahedron. Furthermore, the PbO and Pb-Pb bonds have very large Debye-Waller factors indicating that Pb and O atoms are disordered about the rhombohedral positions down to 11 K. Despite the structural disorder, the local structure of PbHf_0.9Ti_0.1O₃ resembles the rhombohedral average structure more than the structure of PbHfO₃ or PbTiO₃. Since PbHf_1-xTiO₃ and PbZr_1-xTiO₃ have very similar phase diagrams, it is reasonable to assume that the same structural features characterize rhombohedral PbZr_1-xTi_xO₃.

Original language	English
Pages (from-to)	243-249
Number of pages	7
Journal	Journal of Physics and Chemistry of Solids
Volume	61
Issue number	2
DOIs	https://doi.org/10.1016/s0022-3697(99)00288-7
State	Published - 2000
Externally published	Yes
Event	Proceedings of the 1999 Williamsburg Workshop on Ferroelectrics - Williamsburg, VA, United States Duration: 31 Jan 1999 → 3 Feb 1999

Bibliographical note

Funding Information:
The authors acknowledge the support of the US Department of Energy, Division of Materials Sciences, under Contract No. DE-AS05-80-ER-10742 for its role in the development and operation of Beamline X-11A at the National Synchrotron Light Source (NSLS). The NSLS is supported by the Department of Energy, Division of Materials Sciences, and Division of Chemical Sciences, under Contract No. DE-AC02-76CH00016.

Funding

The authors acknowledge the support of the US Department of Energy, Division of Materials Sciences, under Contract No. DE-AS05-80-ER-10742 for its role in the development and operation of Beamline X-11A at the National Synchrotron Light Source (NSLS). The NSLS is supported by the Department of Energy, Division of Materials Sciences, and Division of Chemical Sciences, under Contract No. DE-AC02-76CH00016.

Funders
Division of Chemical Sciences
US Department of Energy
U.S. Department of Energy
Division of Materials Sciences and Engineering

Keywords

D. Ferroelectricity
Structural disorder

Access to Document

10.1016/s0022-3697(99)00288-7

Cite this

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title = "The relation between the local and the average structure of rhombohedral ferroelectric PbHf0.9Ti0.1O3",

abstract = "The local structure of the rhombohedral perovskite PbHf0.9Ti0.1O3 was studied using Pb, Hf and Ti X-ray absorption fine structure (XAFS). XAFS data were analyzed by fitting a parameterized theoretical spectrum to the experimental data. It was found that the structure of the TiO6 octahedron is very different from the structure of the HfO6 octahedron. Furthermore, the PbO and Pb-Pb bonds have very large Debye-Waller factors indicating that Pb and O atoms are disordered about the rhombohedral positions down to 11 K. Despite the structural disorder, the local structure of PbHf0.9Ti0.1O3 resembles the rhombohedral average structure more than the structure of PbHfO3 or PbTiO3. Since PbHf1-xTiO3 and PbZr1-xTiO3 have very similar phase diagrams, it is reasonable to assume that the same structural features characterize rhombohedral PbZr1-xTixO3.",

keywords = "D. Ferroelectricity, Structural disorder",

author = "N. Sicron and Stern, \{E. A.\} and Y. Yacoby",

note = "Funding Information: The authors acknowledge the support of the US Department of Energy, Division of Materials Sciences, under Contract No. DE-AS05-80-ER-10742 for its role in the development and operation of Beamline X-11A at the National Synchrotron Light Source (NSLS). The NSLS is supported by the Department of Energy, Division of Materials Sciences, and Division of Chemical Sciences, under Contract No. DE-AC02-76CH00016. ; Proceedings of the 1999 Williamsburg Workshop on Ferroelectrics ; Conference date: 31-01-1999 Through 03-02-1999",

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AU - Sicron, N.

AU - Stern, E. A.

AU - Yacoby, Y.

N1 - Funding Information: The authors acknowledge the support of the US Department of Energy, Division of Materials Sciences, under Contract No. DE-AS05-80-ER-10742 for its role in the development and operation of Beamline X-11A at the National Synchrotron Light Source (NSLS). The NSLS is supported by the Department of Energy, Division of Materials Sciences, and Division of Chemical Sciences, under Contract No. DE-AC02-76CH00016.

PY - 2000

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N2 - The local structure of the rhombohedral perovskite PbHf0.9Ti0.1O3 was studied using Pb, Hf and Ti X-ray absorption fine structure (XAFS). XAFS data were analyzed by fitting a parameterized theoretical spectrum to the experimental data. It was found that the structure of the TiO6 octahedron is very different from the structure of the HfO6 octahedron. Furthermore, the PbO and Pb-Pb bonds have very large Debye-Waller factors indicating that Pb and O atoms are disordered about the rhombohedral positions down to 11 K. Despite the structural disorder, the local structure of PbHf0.9Ti0.1O3 resembles the rhombohedral average structure more than the structure of PbHfO3 or PbTiO3. Since PbHf1-xTiO3 and PbZr1-xTiO3 have very similar phase diagrams, it is reasonable to assume that the same structural features characterize rhombohedral PbZr1-xTixO3.

AB - The local structure of the rhombohedral perovskite PbHf0.9Ti0.1O3 was studied using Pb, Hf and Ti X-ray absorption fine structure (XAFS). XAFS data were analyzed by fitting a parameterized theoretical spectrum to the experimental data. It was found that the structure of the TiO6 octahedron is very different from the structure of the HfO6 octahedron. Furthermore, the PbO and Pb-Pb bonds have very large Debye-Waller factors indicating that Pb and O atoms are disordered about the rhombohedral positions down to 11 K. Despite the structural disorder, the local structure of PbHf0.9Ti0.1O3 resembles the rhombohedral average structure more than the structure of PbHfO3 or PbTiO3. Since PbHf1-xTiO3 and PbZr1-xTiO3 have very similar phase diagrams, it is reasonable to assume that the same structural features characterize rhombohedral PbZr1-xTixO3.

KW - D. Ferroelectricity

KW - Structural disorder

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