Sr vacancy segregation by heat treatment at SrTiO3 grain boundary

Teruyasu Mizoguchi; Yukio Sato; James P. Buban; Katsuyuki Matsunaga; Takahisa Yamamoto; Yuichi Ikuhara

doi:10.1063/1.2146051

Sr vacancy segregation by heat treatment at SrTiO₃ grain boundary

Teruyasu Mizoguchi, Yukio Sato, James P. Buban, Katsuyuki Matsunaga, Takahisa Yamamoto, Yuichi Ikuhara

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

47 Citations (Scopus)

Abstract

Electron energy loss near-edge structures (ELNES) and first-principles band structure calculations were combined in order to identify native defects which are segregated by heat treatments at the vicinity of SrTiO3 grain boundary (GB). Spectral differences between the bulk and the vicinity of GB mainly appear around the second peak of O K ELNES. The spectral differences can be reproduced by calculating the theoretical O K ELNES from the first-nearest-neighbor oxygen to a Sr vacancy. It is therefore concluded that the Sr vacancies are concentrated in the vicinity of GB by the heat treatment.

Original language	English
Article number	241920
Pages (from-to)	1-3
Number of pages	3
Journal	Applied Physics Letters
Volume	87
Issue number	24
DOIs	https://doi.org/10.1063/1.2146051
Publication status	Published - 2005
Externally published	Yes

All Science Journal Classification (ASJC) codes

Physics and Astronomy (miscellaneous)

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10.1063/1.2146051

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title = "Sr vacancy segregation by heat treatment at SrTiO3 grain boundary",

abstract = "Electron energy loss near-edge structures (ELNES) and first-principles band structure calculations were combined in order to identify native defects which are segregated by heat treatments at the vicinity of SrTiO3 grain boundary (GB). Spectral differences between the bulk and the vicinity of GB mainly appear around the second peak of O K ELNES. The spectral differences can be reproduced by calculating the theoretical O K ELNES from the first-nearest-neighbor oxygen to a Sr vacancy. It is therefore concluded that the Sr vacancies are concentrated in the vicinity of GB by the heat treatment.",

author = "Teruyasu Mizoguchi and Yukio Sato and Buban, {James P.} and Katsuyuki Matsunaga and Takahisa Yamamoto and Yuichi Ikuhara",

note = "Funding Information: The authors thank Professor W. Y. Ching at the University of Missouri—Kansas City for allowing the use of the OLCAO code. Two of the authors (T. M and Y. S.) were supported as Japan Society for Promotion of Science (JSPS) research fellows. This work was supported by a Grant-in-Aid for General Scientific Research from the Ministry of Education, Sports, Science, and Culture of Japan.",

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T1 - Sr vacancy segregation by heat treatment at SrTiO3 grain boundary

AU - Mizoguchi, Teruyasu

AU - Sato, Yukio

AU - Buban, James P.

AU - Matsunaga, Katsuyuki

AU - Yamamoto, Takahisa

AU - Ikuhara, Yuichi

N1 - Funding Information: The authors thank Professor W. Y. Ching at the University of Missouri—Kansas City for allowing the use of the OLCAO code. Two of the authors (T. M and Y. S.) were supported as Japan Society for Promotion of Science (JSPS) research fellows. This work was supported by a Grant-in-Aid for General Scientific Research from the Ministry of Education, Sports, Science, and Culture of Japan.

PY - 2005

Y1 - 2005

N2 - Electron energy loss near-edge structures (ELNES) and first-principles band structure calculations were combined in order to identify native defects which are segregated by heat treatments at the vicinity of SrTiO3 grain boundary (GB). Spectral differences between the bulk and the vicinity of GB mainly appear around the second peak of O K ELNES. The spectral differences can be reproduced by calculating the theoretical O K ELNES from the first-nearest-neighbor oxygen to a Sr vacancy. It is therefore concluded that the Sr vacancies are concentrated in the vicinity of GB by the heat treatment.

AB - Electron energy loss near-edge structures (ELNES) and first-principles band structure calculations were combined in order to identify native defects which are segregated by heat treatments at the vicinity of SrTiO3 grain boundary (GB). Spectral differences between the bulk and the vicinity of GB mainly appear around the second peak of O K ELNES. The spectral differences can be reproduced by calculating the theoretical O K ELNES from the first-nearest-neighbor oxygen to a Sr vacancy. It is therefore concluded that the Sr vacancies are concentrated in the vicinity of GB by the heat treatment.

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Sr vacancy segregation by heat treatment at SrTiO₃ grain boundary

Abstract

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