Nucleation site of Cu on the H-terminated Si(111) surface

K. Tatsumura, T. Watanabe, Takanobu Watanabe, T. Hoshino, I. Ohdomari

    Research output: Contribution to journalArticle

    13 Citations (Scopus)

    Abstract

    First-principles quantum chemical calculations have been performed to clarify the nucleation site of Cu on the H-terminated Si(111) surface. The adhesion energies of a Cu atom on various sites have been obtained accurately. We have examined the following surface species as candidates for the Cu nucleation site: Si dihydride and monohydride species, fluoride, chloride, and hydroxide species, and locally oxidized sites. The basis set for Cu, which is one of the transition metals, has been chosen suitably. Results of our calculation indicate that (1) a Cu atom migrates freely on the H-terminated Si(111) surface, (2) it adheres selectively on the OH-terminated site, which is considered to exist mainly at a kink site and at the intersection of step edges, and (3) the Cu atom adhering on the OH-terminated site easily grows to a cluster.

    Original languageEnglish
    Article number115406
    Pages (from-to)1154061-1154066
    Number of pages6
    JournalPhysical Review B - Condensed Matter and Materials Physics
    Volume64
    Issue number11
    Publication statusPublished - 2001 Sep 15

    Fingerprint

    Nucleation
    nucleation
    Atoms
    atoms
    dihydrides
    Fluorides
    intersections
    hydroxides
    Transition metals
    fluorides
    Chlorides
    adhesion
    Adhesion
    transition metals
    chlorides
    hydroxide ion
    energy

    ASJC Scopus subject areas

    • Condensed Matter Physics

    Cite this

    Tatsumura, K., Watanabe, T., Watanabe, T., Hoshino, T., & Ohdomari, I. (2001). Nucleation site of Cu on the H-terminated Si(111) surface. Physical Review B - Condensed Matter and Materials Physics, 64(11), 1154061-1154066. [115406].

    Nucleation site of Cu on the H-terminated Si(111) surface. / Tatsumura, K.; Watanabe, T.; Watanabe, Takanobu; Hoshino, T.; Ohdomari, I.

    In: Physical Review B - Condensed Matter and Materials Physics, Vol. 64, No. 11, 115406, 15.09.2001, p. 1154061-1154066.

    Research output: Contribution to journalArticle

    Tatsumura, K, Watanabe, T, Watanabe, T, Hoshino, T & Ohdomari, I 2001, 'Nucleation site of Cu on the H-terminated Si(111) surface', Physical Review B - Condensed Matter and Materials Physics, vol. 64, no. 11, 115406, pp. 1154061-1154066.
    Tatsumura K, Watanabe T, Watanabe T, Hoshino T, Ohdomari I. Nucleation site of Cu on the H-terminated Si(111) surface. Physical Review B - Condensed Matter and Materials Physics. 2001 Sep 15;64(11):1154061-1154066. 115406.
    Tatsumura, K. ; Watanabe, T. ; Watanabe, Takanobu ; Hoshino, T. ; Ohdomari, I. / Nucleation site of Cu on the H-terminated Si(111) surface. In: Physical Review B - Condensed Matter and Materials Physics. 2001 ; Vol. 64, No. 11. pp. 1154061-1154066.
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