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

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

研究成果: Article査読

15 被引用数 (Scopus)


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.

ジャーナルPhysical Review B - Condensed Matter and Materials Physics
出版ステータスPublished - 2001

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学


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