Spontaneous polarization and band gap bowing in YxAl yGa1-x-yN alloys lattice-matched to GaN

Kazuhiro Shimada, Atsuhito Zenpuku, Kazuya Fujiwara, Kouji Hazu, Shigefusa F. Chichibu, Masahiro Hata, Hiroyuki Sazawa, Tomoyuki Takada, Takayuki Sota

    研究成果: Article

    7 引用 (Scopus)

    抄録

    First-principles calculations are carried out to estimate the spontaneous polarization and the energy band gap bowing in YxAl yGa1-x-yN alloys lattice-matched to GaN. The ground state properties of alloys are computed by using the pseudopotential-planewave method in conjunction with generalized gradient approximation to density functional theory. We find nonlinear behavior of the spontaneous polarization and the band gap energies in Y xAlyGa1-x-yN alloys and the values depend on the atomic geometry in the unit cell, especially on that of yttrium.

    元の言語English
    記事番号074114
    ジャーナルJournal of Applied Physics
    110
    発行部数7
    DOI
    出版物ステータスPublished - 2011 10 1

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    polarization
    yttrium
    pseudopotentials
    energy bands
    density functional theory
    gradients
    ground state
    estimates
    geometry
    cells
    approximation

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

    これを引用

    Spontaneous polarization and band gap bowing in YxAl yGa1-x-yN alloys lattice-matched to GaN. / Shimada, Kazuhiro; Zenpuku, Atsuhito; Fujiwara, Kazuya; Hazu, Kouji; Chichibu, Shigefusa F.; Hata, Masahiro; Sazawa, Hiroyuki; Takada, Tomoyuki; Sota, Takayuki.

    :: Journal of Applied Physics, 巻 110, 番号 7, 074114, 01.10.2011.

    研究成果: Article

    Shimada, K, Zenpuku, A, Fujiwara, K, Hazu, K, Chichibu, SF, Hata, M, Sazawa, H, Takada, T & Sota, T 2011, 'Spontaneous polarization and band gap bowing in YxAl yGa1-x-yN alloys lattice-matched to GaN', Journal of Applied Physics, 巻. 110, 番号 7, 074114. https://doi.org/10.1063/1.3651154
    Shimada K, Zenpuku A, Fujiwara K, Hazu K, Chichibu SF, Hata M その他. Spontaneous polarization and band gap bowing in YxAl yGa1-x-yN alloys lattice-matched to GaN. Journal of Applied Physics. 2011 10 1;110(7). 074114. https://doi.org/10.1063/1.3651154
    Shimada, Kazuhiro ; Zenpuku, Atsuhito ; Fujiwara, Kazuya ; Hazu, Kouji ; Chichibu, Shigefusa F. ; Hata, Masahiro ; Sazawa, Hiroyuki ; Takada, Tomoyuki ; Sota, Takayuki. / Spontaneous polarization and band gap bowing in YxAl yGa1-x-yN alloys lattice-matched to GaN. :: Journal of Applied Physics. 2011 ; 巻 110, 番号 7.
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    AU - Zenpuku, Atsuhito

    AU - Fujiwara, Kazuya

    AU - Hazu, Kouji

    AU - Chichibu, Shigefusa F.

    AU - Hata, Masahiro

    AU - Sazawa, Hiroyuki

    AU - Takada, Tomoyuki

    AU - Sota, Takayuki

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