Cr diffusion in α -Al2 O3: Secondary ion mass spectroscopy and first-principles study

Nobuaki Takahashi; Teruyasu Mizoguchi; Tsubasa Nakagawa; Tetsuya Tohei; Isao Sakaguchi; Akihide Kuwabara; Naoya Shibata; Takahisa Yamamoto; Naoki Ohashi; Yuichi Ikuhara

doi:10.1103/PhysRevB.82.174302

Cr diffusion in α -Al₂ O₃: Secondary ion mass spectroscopy and first-principles study

Nobuaki Takahashi, Teruyasu Mizoguchi, Tsubasa Nakagawa, Tetsuya Tohei, Isao Sakaguchi, Akihide Kuwabara, Naoya Shibata, Takahisa Yamamoto, Naoki Ohashi, Yuichi Ikuhara

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

6 Citations (Scopus)

Abstract

Diffusion in α -Al₂ O₃ has been extensively investigated for several decades but its atomic-scale mechanism is still in controversy. In the present study, cation diffusion in α -Al₂ O₃ was investigated by secondary ion mass spectroscopy (SIMS) and first-principles calculations. The SIMS experiment revealed that Cr diffusion in α -Al₂ O₃ shows a crystallographic orientation dependence. Specifically, Cr diffusion perpendicular to the [0001] direction is more preferable than that parallel to the [0001] direction. It was found by theoretical calculations that both Al and Cr diffusion mainly proceeds via a vacancy rather than an interstitial site. In addition, theoretical calculations predicted that the crystallographic orientation dependence of Cr diffusion is stronger than that of Al diffusion. By examining the atomic structures around the migrating atoms, it was found that the migration energetics are closely related to the interatomic spacing along the migration path.

Original language	English
Article number	174302
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	82
Issue number	17
DOIs	https://doi.org/10.1103/PhysRevB.82.174302
Publication status	Published - 2010 Nov 11

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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Cr diffusion in α -Al₂ O₃ : Secondary ion mass spectroscopy and first-principles study. / Takahashi, Nobuaki; Mizoguchi, Teruyasu; Nakagawa, Tsubasa; Tohei, Tetsuya; Sakaguchi, Isao; Kuwabara, Akihide; Shibata, Naoya; Yamamoto, Takahisa; Ohashi, Naoki; Ikuhara, Yuichi.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 82, No. 17, 174302, 11.11.2010.

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

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abstract = "Diffusion in α -Al2 O3 has been extensively investigated for several decades but its atomic-scale mechanism is still in controversy. In the present study, cation diffusion in α -Al2 O3 was investigated by secondary ion mass spectroscopy (SIMS) and first-principles calculations. The SIMS experiment revealed that Cr diffusion in α -Al2 O3 shows a crystallographic orientation dependence. Specifically, Cr diffusion perpendicular to the [0001] direction is more preferable than that parallel to the [0001] direction. It was found by theoretical calculations that both Al and Cr diffusion mainly proceeds via a vacancy rather than an interstitial site. In addition, theoretical calculations predicted that the crystallographic orientation dependence of Cr diffusion is stronger than that of Al diffusion. By examining the atomic structures around the migrating atoms, it was found that the migration energetics are closely related to the interatomic spacing along the migration path.",

author = "Nobuaki Takahashi and Teruyasu Mizoguchi and Tsubasa Nakagawa and Tetsuya Tohei and Isao Sakaguchi and Akihide Kuwabara and Naoya Shibata and Takahisa Yamamoto and Naoki Ohashi and Yuichi Ikuhara",

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AU - Takahashi, Nobuaki

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AU - Nakagawa, Tsubasa

AU - Tohei, Tetsuya

AU - Sakaguchi, Isao

AU - Kuwabara, Akihide

AU - Shibata, Naoya

AU - Yamamoto, Takahisa

AU - Ohashi, Naoki

AU - Ikuhara, Yuichi

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