Disorder of Pb atom in cubic structure of Pb(Zn1/3Nb 2/3)O3-PbTiO3 system

Yoshihiro Terado; Su Jae Kim; Chikako Moriyoshi; Yoshihiro Kuroiwa; Makoto Iwata; Masaki Takata

doi:10.1143/JJAP.45.7552

Disorder of Pb atom in cubic structure of Pb(Zn_1/3Nb _2/3)O₃-PbTiO₃ system

Yoshihiro Terado, Su Jae Kim, Chikako Moriyoshi, Yoshihiro Kuroiwa, Makoto Iwata, Masaki Takata

SRIS - SR Core Research Division

Research output: Contribution to journal › Article › peer-review

22 Citations (Scopus)

Abstract

The crystal structures of (1 - x)Pb(Zn_1/3Nb_2/3)O ₃-xPbTiO₃ (PZN-PT: 0 ≤ x ≤ 0.3) in the cubic phase at 650K have been investigated by analyzing the high-energy synchrotron-radiation (SR) powder diffraction data using the Rietveld method. It is found that the Pb atom does not settle at the ideal high-symmetry position with a harmonic thermal parameter. The split-atom method reveals that the Pb atom in the cubic phase is disordered and settles randomly at crystallographically equivalent positions slightly off-center of the cubic-corner site. The disordered directions of the Pb atom are significantly changed at the concentration x ∼ 0.15. This structural boundary found in the cubic phase is related to the appearance of the morphotropic phase boundary (MPB).

Original language	English
Pages (from-to)	7552-7555
Number of pages	4
Journal	Japanese Journal of Applied Physics
Volume	45
Issue number	9 B
DOIs	https://doi.org/10.1143/JJAP.45.7552
Publication status	Published - 2006 Sept 22

Keywords

Disorder of Pb atom
Morphotropic phase boundary
Perovskite
Powder diffraction
PZN-PT
Rietveld analysis
Synchrotron radiation
Tolerance factor

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title = "Disorder of Pb atom in cubic structure of Pb(Zn1/3Nb 2/3)O3-PbTiO3 system",

abstract = "The crystal structures of (1 - x)Pb(Zn1/3Nb2/3)O 3-xPbTiO3 (PZN-PT: 0 ≤ x ≤ 0.3) in the cubic phase at 650K have been investigated by analyzing the high-energy synchrotron-radiation (SR) powder diffraction data using the Rietveld method. It is found that the Pb atom does not settle at the ideal high-symmetry position with a harmonic thermal parameter. The split-atom method reveals that the Pb atom in the cubic phase is disordered and settles randomly at crystallographically equivalent positions slightly off-center of the cubic-corner site. The disordered directions of the Pb atom are significantly changed at the concentration x ∼ 0.15. This structural boundary found in the cubic phase is related to the appearance of the morphotropic phase boundary (MPB).",

keywords = "Disorder of Pb atom, Morphotropic phase boundary, Perovskite, Powder diffraction, PZN-PT, Rietveld analysis, Synchrotron radiation, Tolerance factor",

author = "Yoshihiro Terado and Kim, {Su Jae} and Chikako Moriyoshi and Yoshihiro Kuroiwa and Makoto Iwata and Masaki Takata",

year = "2006",

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doi = "10.1143/JJAP.45.7552",

language = "English",

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T1 - Disorder of Pb atom in cubic structure of Pb(Zn1/3Nb 2/3)O3-PbTiO3 system

AU - Terado, Yoshihiro

AU - Kim, Su Jae

AU - Moriyoshi, Chikako

AU - Kuroiwa, Yoshihiro

AU - Iwata, Makoto

AU - Takata, Masaki

PY - 2006/9/22

Y1 - 2006/9/22

N2 - The crystal structures of (1 - x)Pb(Zn1/3Nb2/3)O 3-xPbTiO3 (PZN-PT: 0 ≤ x ≤ 0.3) in the cubic phase at 650K have been investigated by analyzing the high-energy synchrotron-radiation (SR) powder diffraction data using the Rietveld method. It is found that the Pb atom does not settle at the ideal high-symmetry position with a harmonic thermal parameter. The split-atom method reveals that the Pb atom in the cubic phase is disordered and settles randomly at crystallographically equivalent positions slightly off-center of the cubic-corner site. The disordered directions of the Pb atom are significantly changed at the concentration x ∼ 0.15. This structural boundary found in the cubic phase is related to the appearance of the morphotropic phase boundary (MPB).

AB - The crystal structures of (1 - x)Pb(Zn1/3Nb2/3)O 3-xPbTiO3 (PZN-PT: 0 ≤ x ≤ 0.3) in the cubic phase at 650K have been investigated by analyzing the high-energy synchrotron-radiation (SR) powder diffraction data using the Rietveld method. It is found that the Pb atom does not settle at the ideal high-symmetry position with a harmonic thermal parameter. The split-atom method reveals that the Pb atom in the cubic phase is disordered and settles randomly at crystallographically equivalent positions slightly off-center of the cubic-corner site. The disordered directions of the Pb atom are significantly changed at the concentration x ∼ 0.15. This structural boundary found in the cubic phase is related to the appearance of the morphotropic phase boundary (MPB).

KW - Disorder of Pb atom

KW - Morphotropic phase boundary

KW - Perovskite

KW - Powder diffraction

KW - PZN-PT

KW - Rietveld analysis

KW - Synchrotron radiation

KW - Tolerance factor

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JO - Japanese Journal of Applied Physics

JF - Japanese Journal of Applied Physics

IS - 9 B

ER -

Disorder of Pb atom in cubic structure of Pb(Zn_1/3Nb _2/3)O₃-PbTiO₃ system

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Keywords

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