Strain distribution around SiO2/Si interface in Si nano wires: A molecular dynamics study

Hiromichi Ohta, Takanobu Watanabe, Iwao Ohdomari

    Research output: Contribution to journalArticle

    44 Citations (Scopus)

    Abstract

    We have performed three-dimensional molecular dynamics simulations to investigate strain and stress distributions in silicon nanostructures covered with thermal oxide films, by using our original molecular force field for Si, O mixed systems. We have modeled a wire-shaped nanostructure by carving a Si(001) substrate, and then an oxide film with a uniform thickness was formed by inserting oxygen atom into Si-Si bonds from the surface. The simulation results show that a compressive stress is concentrated on the oxide region in the vicinity of the side SiO2/Si interface of the nanowire. At the top interface, there is also a compressive stress in the [110] direction, whereas the [001] component of the normal stress tensor is almost relaxed. These results suggest that the oxidation is strongly suppressed at the side faces of the silicon nanowire.

    Original languageEnglish
    Pages (from-to)3277-3282
    Number of pages6
    JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
    Volume46
    Issue number5 B
    DOIs
    Publication statusPublished - 2007 May 17

    Fingerprint

    strain distribution
    Compressive stress
    Oxide films
    Nanowires
    oxide films
    Molecular dynamics
    Nanostructures
    nanowires
    wire
    Wire
    molecular dynamics
    Silicon
    stress tensors
    silicon
    field theory (physics)
    stress distribution
    Tensors
    Stress concentration
    oxygen atoms
    simulation

    Keywords

    • Molecular dynamics simulation
    • Si nanowire
    • Strain and stress
    • Thermal oxidation

    ASJC Scopus subject areas

    • Physics and Astronomy (miscellaneous)

    Cite this

    Strain distribution around SiO2/Si interface in Si nano wires : A molecular dynamics study. / Ohta, Hiromichi; Watanabe, Takanobu; Ohdomari, Iwao.

    In: Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, Vol. 46, No. 5 B, 17.05.2007, p. 3277-3282.

    Research output: Contribution to journalArticle

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