Effectiveness of BaZrO3 buffer layer in SmBa2Cu 3Oy epitaxial growth on MgO substrate: A first-principles study

Fumiyasu Oba; Yoshihiro Sugawara; Katsuya Hasegawa; Teruo Izumi; Yuh Shiohara; Tsukasa Hirayama; Takahisa Yamamoto; Yuichi Ikuhara

doi:10.1063/1.1641525

Effectiveness of BaZrO₃ buffer layer in SmBa₂Cu ₃O_y epitaxial growth on MgO substrate: A first-principles study

Fumiyasu Oba, Yoshihiro Sugawara, Katsuya Hasegawa, Teruo Izumi, Yuh Shiohara, Tsukasa Hirayama, Takahisa Yamamoto, Yuichi Ikuhara

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

6 Citations (Scopus)

Abstract

First-principles plane-wave pseudopotential calculations were conducted to investigate the atomic structure and energies of SmBa₂Cu ₃O₆(Sm123)/BaZrO₃(BZO) and Sm123/MgO interfaces. For Sm123/BZO, the interface was found energetically preferable when it composed of BaO layer under any possible conditions of chemical potentials. The stability of Sm123/BZO interface was attributed to local atomic arrangement. The chemical composition common to Sm123 and BZO was confirmed by high-resolution transmission electron microscopy.

Original language	English
Pages (from-to)	2309-2318
Number of pages	10
Journal	Journal of Applied Physics
Volume	95
Issue number	5
DOIs	https://doi.org/10.1063/1.1641525
Publication status	Published - 2004 Mar 1
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)

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10.1063/1.1641525

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Effectiveness of BaZrO₃ buffer layer in SmBa₂Cu ₃O_y epitaxial growth on MgO substrate : A first-principles study. / Oba, Fumiyasu; Sugawara, Yoshihiro; Hasegawa, Katsuya; Izumi, Teruo; Shiohara, Yuh; Hirayama, Tsukasa; Yamamoto, Takahisa; Ikuhara, Yuichi.

In: Journal of Applied Physics, Vol. 95, No. 5, 01.03.2004, p. 2309-2318.

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

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AU - Hasegawa, Katsuya

AU - Izumi, Teruo

AU - Shiohara, Yuh

AU - Hirayama, Tsukasa

AU - Yamamoto, Takahisa

AU - Ikuhara, Yuichi

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Effectiveness of BaZrO₃ buffer layer in SmBa₂Cu ₃O_y epitaxial growth on MgO substrate: A first-principles study

Abstract

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