Phonon dispersion in (100) Si nanowire covered with SiO2 film calculated by molecular dynamics simulation

Tomofumi Zushi, Kosuke Shimura, Masanori Tomita, Kenji Ohmori, Keisaku Yamad, Takanobu Watanabe

    Research output: Contribution to journalArticle

    6 Citations (Scopus)

    Abstract

    The phonon dispersion relation in (100) Si nanowire (SiNW) is calculated by employing a realistic atomistic model surrounded by thin SiO2 layer. We performed molecular dynamics simulations to calculate the dynamical structure factor by the space-time Fourier transform of atomic trajectories, and extracted the phonon dispersion relations. In the SiNWs, low energy phonon branches spread into broad spectra due to the presence of the SiO2 film, which is considered as the origin of the thermal conductivity degradation. A softening of the transverse optical mode also appears due to the lattice strain induced by the outer oxide film. This work suggests that the presence of amorphous oxide layer is crucial factor to characterize phonon vibration properties in practical SiNWs.

    Original languageEnglish
    JournalECS Journal of Solid State Science and Technology
    Volume3
    Issue number5
    DOIs
    Publication statusPublished - 2014

    Fingerprint

    Nanowires
    Molecular dynamics
    Computer simulation
    Oxides
    Oxide films
    Thermal conductivity
    Fourier transforms
    Trajectories
    Degradation

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials

    Cite this

    Phonon dispersion in (100) Si nanowire covered with SiO2 film calculated by molecular dynamics simulation. / Zushi, Tomofumi; Shimura, Kosuke; Tomita, Masanori; Ohmori, Kenji; Yamad, Keisaku; Watanabe, Takanobu.

    In: ECS Journal of Solid State Science and Technology, Vol. 3, No. 5, 2014.

    Research output: Contribution to journalArticle

    Zushi, Tomofumi ; Shimura, Kosuke ; Tomita, Masanori ; Ohmori, Kenji ; Yamad, Keisaku ; Watanabe, Takanobu. / Phonon dispersion in (100) Si nanowire covered with SiO2 film calculated by molecular dynamics simulation. In: ECS Journal of Solid State Science and Technology. 2014 ; Vol. 3, No. 5.
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    AU - Shimura, Kosuke

    AU - Tomita, Masanori

    AU - Ohmori, Kenji

    AU - Yamad, Keisaku

    AU - Watanabe, Takanobu

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