Molecular dynamics study on the formation of dipole layer at high-k/SiO2 interfaces

Ryo Kuriyama, Masahiro Hashiguchi, Ryusuke Takahashi, Kosuke Shimura, Atsushi Ogura, Shinichi Satoh, Takanobu Watanabe

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    Abstract

    We show that electric dipole layer at Al2O3/SiO 2 interface is reproduced by classical molecular dynamics simulation with a simple two-body rigid ion model. The dipole layer was spontaneously formed by the migration of oxygen ions from Al2O3 side to SiO2 side. Built-in potential at the Al2O 3/SiO2 is estimated to about 0.35V, which roughly compares with the experimental value of the flat band voltage shift. Contrary, no significant dipole layer appeared at Y2O3/SiO2 interface. The simulation results are explained in terms of the difference in the magnitude of multipole moments around cations of these oxides.

    Original languageEnglish
    Article number08LB02
    JournalJapanese Journal of Applied Physics
    Volume53
    Issue number8 SPEC. ISSUE 1
    DOIs
    Publication statusPublished - 2014

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    ASJC Scopus subject areas

    • Engineering(all)
    • Physics and Astronomy(all)

    Cite this

    Kuriyama, R., Hashiguchi, M., Takahashi, R., Shimura, K., Ogura, A., Satoh, S., & Watanabe, T. (2014). Molecular dynamics study on the formation of dipole layer at high-k/SiO2 interfaces. Japanese Journal of Applied Physics, 53(8 SPEC. ISSUE 1), [08LB02]. https://doi.org/10.7567/JJAP.53.08LB02