XAFS study of A-site-deficient La0.63Ti0.92Nb 0.08O3 perovskite

Akira Yoshiasa; Maki Okube; Hiroki Okudera; Akihiko Nakatsuka; Masatomo Yashima; Atsushi Sakai; Mizuki Mori; Roushown Ali

doi:10.1238/Physica.Topical.115a00372

XAFS study of A-site-deficient La_0.63Ti_0.92Nb _0.08O₃ perovskite

Akira Yoshiasa, Maki Okube, Hiroki Okudera, Akihiko Nakatsuka, Masatomo Yashima, Atsushi Sakai, Mizuki Mori, Roushown Ali

Materials Development Division

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

Abstract

The temperature dependence of EXAFS Debye-Waller factors in La _0.63Ti_0.92Nb_0.08O₃ perovskite with cation deficiency was investigated with the cumulant expansion method. The measurements of the Ti and Nb K-edge and La L3-edge EXAFS spectra were carried out in the transmission mode at temperatures up to 800 K. The obtained local bond distances of 1.95(1) Å for Ti-O, 1.98(1) Å for Nb-O and 2.65(1) Å for La-O are significantly smaller than the expected values on Shannon's radii. This characteristic is attributable to the presence of the cation deficiency. The effective pair potentials, V(u) = αu²/2 + βu³/3, were evaluated and the potential coefficients α and β for the Ti-O bond in La_0.63Ti_0.92Nb _0.08O₃ are 6.6(1) eV/Å² and -42(3) eV/Å³, respectively. The Ti-O bond in the A-site-deficient La_0.63Ti_0.92Nb_0.08O₃ has relatively larger anharmonic and soft potential coefficient than that in ordinary CaTiO₃ perovskites.

Original language	English
Pages (from-to)	372-374
Number of pages	3
Journal	Physica Scripta T
Volume	T115
DOIs	https://doi.org/10.1238/Physica.Topical.115a00372
Publication status	Published - 2005
Event	12th X-ray Absorption Fine Structure International Conference, XAFS12 - Malmo, Sweden Duration: 2003 Jun 23 → 2003 Jun 27

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Mathematical Physics
Condensed Matter Physics

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@article{860890a05cec4492b588a37cedfd71cb,

title = "XAFS study of A-site-deficient La0.63Ti0.92Nb 0.08O3 perovskite",

abstract = "The temperature dependence of EXAFS Debye-Waller factors in La 0.63Ti0.92Nb0.08O3 perovskite with cation deficiency was investigated with the cumulant expansion method. The measurements of the Ti and Nb K-edge and La L3-edge EXAFS spectra were carried out in the transmission mode at temperatures up to 800 K. The obtained local bond distances of 1.95(1) {\AA} for Ti-O, 1.98(1) {\AA} for Nb-O and 2.65(1) {\AA} for La-O are significantly smaller than the expected values on Shannon's radii. This characteristic is attributable to the presence of the cation deficiency. The effective pair potentials, V(u) = αu2/2 + βu3/3, were evaluated and the potential coefficients α and β for the Ti-O bond in La0.63Ti0.92Nb 0.08O3 are 6.6(1) eV/{\AA}2 and -42(3) eV/{\AA}3, respectively. The Ti-O bond in the A-site-deficient La0.63Ti0.92Nb0.08O3 has relatively larger anharmonic and soft potential coefficient than that in ordinary CaTiO3 perovskites.",

author = "Akira Yoshiasa and Maki Okube and Hiroki Okudera and Akihiko Nakatsuka and Masatomo Yashima and Atsushi Sakai and Mizuki Mori and Roushown Ali",

year = "2005",

doi = "10.1238/Physica.Topical.115a00372",

language = "English",

volume = "T115",

pages = "372--374",

journal = "Physica Scripta",

issn = "0031-8949",

publisher = "IOP Publishing Ltd.",

}

TY - JOUR

T1 - XAFS study of A-site-deficient La0.63Ti0.92Nb 0.08O3 perovskite

AU - Yoshiasa, Akira

AU - Okube, Maki

AU - Okudera, Hiroki

AU - Nakatsuka, Akihiko

AU - Yashima, Masatomo

AU - Sakai, Atsushi

AU - Mori, Mizuki

AU - Ali, Roushown

PY - 2005

Y1 - 2005

N2 - The temperature dependence of EXAFS Debye-Waller factors in La 0.63Ti0.92Nb0.08O3 perovskite with cation deficiency was investigated with the cumulant expansion method. The measurements of the Ti and Nb K-edge and La L3-edge EXAFS spectra were carried out in the transmission mode at temperatures up to 800 K. The obtained local bond distances of 1.95(1) Å for Ti-O, 1.98(1) Å for Nb-O and 2.65(1) Å for La-O are significantly smaller than the expected values on Shannon's radii. This characteristic is attributable to the presence of the cation deficiency. The effective pair potentials, V(u) = αu2/2 + βu3/3, were evaluated and the potential coefficients α and β for the Ti-O bond in La0.63Ti0.92Nb 0.08O3 are 6.6(1) eV/Å2 and -42(3) eV/Å3, respectively. The Ti-O bond in the A-site-deficient La0.63Ti0.92Nb0.08O3 has relatively larger anharmonic and soft potential coefficient than that in ordinary CaTiO3 perovskites.

AB - The temperature dependence of EXAFS Debye-Waller factors in La 0.63Ti0.92Nb0.08O3 perovskite with cation deficiency was investigated with the cumulant expansion method. The measurements of the Ti and Nb K-edge and La L3-edge EXAFS spectra were carried out in the transmission mode at temperatures up to 800 K. The obtained local bond distances of 1.95(1) Å for Ti-O, 1.98(1) Å for Nb-O and 2.65(1) Å for La-O are significantly smaller than the expected values on Shannon's radii. This characteristic is attributable to the presence of the cation deficiency. The effective pair potentials, V(u) = αu2/2 + βu3/3, were evaluated and the potential coefficients α and β for the Ti-O bond in La0.63Ti0.92Nb 0.08O3 are 6.6(1) eV/Å2 and -42(3) eV/Å3, respectively. The Ti-O bond in the A-site-deficient La0.63Ti0.92Nb0.08O3 has relatively larger anharmonic and soft potential coefficient than that in ordinary CaTiO3 perovskites.

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U2 - 10.1238/Physica.Topical.115a00372

DO - 10.1238/Physica.Topical.115a00372

M3 - Conference article

AN - SCOPUS:42149162223

VL - T115

SP - 372

EP - 374

JO - Physica Scripta

JF - Physica Scripta

SN - 0031-8949

T2 - 12th X-ray Absorption Fine Structure International Conference, XAFS12

Y2 - 23 June 2003 through 27 June 2003

ER -

XAFS study of A-site-deficient La_0.63Ti_0.92Nb _0.08O₃ perovskite

Abstract

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