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

    Research output: Contribution to journalArticlepeer-review

    6 Citations (Scopus)


    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 languageEnglish
    Pages (from-to)2309-2318
    Number of pages10
    JournalJournal of Applied Physics
    Issue number5
    Publication statusPublished - 2004 Mar 1

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

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