Electronic band structure calculations on thin films of the L2 1 full Heusler alloys X 2YSi (X, y = Mn, Fe, and Co): Toward spintronic materials

Hirotoshi Mori, Yosuke Odahara, Daisuke Shigyo, Tsuyoshi Yoshitake, Eisaku Miyoshi

    研究成果: Contribution to journalArticle査読

    33 被引用数 (Scopus)

    抄録

    To design half-metallic materials in thin film form for spintronic devices, the electronic structures of full Heusler alloys (Mn 2FeSi, Fe 2MnSi, Fe 2FeSi, Fe 2CoSi, and Co 2FeSi) with an L2 1 structure have been investigated using density functional theory calculations with Gaussian-type functions in a periodic boundary condition. Considering the metal composition, layer thickness, and orbital symmetries, a 5-layered Co 2FeSi thin film, whose surface consists of a Si layer, was found to have stable half-metallic nature with a band gap of ca. 0.6 eV in the minority spin state. Using the group theory, the difference between electronic structures in bulk and thin film conditions was discussed.

    本文言語英語
    ページ(範囲)4979-4983
    ページ数5
    ジャーナルThin Solid Films
    520
    15
    DOI
    出版ステータス出版済み - 5 31 2012

    All Science Journal Classification (ASJC) codes

    • Electronic, Optical and Magnetic Materials
    • Surfaces and Interfaces
    • Surfaces, Coatings and Films
    • Metals and Alloys
    • Materials Chemistry

    フィンガープリント 「Electronic band structure calculations on thin films of the L2 <sub>1</sub> full Heusler alloys X <sub>2</sub>YSi (X, y = Mn, Fe, and Co): Toward spintronic materials」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

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