Interaction between Atomic Vacancies in Crystalline Si Wafer: A Tight-binding Molecular Dynamics Study

• Takata Kazuaki

  Graduate School of Natural Science and Technology, Okayama University

• Tsuruta Kenji

  Graduate School of Natural Science and Technology, Okayama University

• Ogawa Takafumi

  Nanostructures Research Laboratory, Japan Fine Ceramics Center

• Iyetomi Hiroshi

  Department of Physics, Niigata University

抄録

Vacancy interaction in crystalline Si wafer is studied by numerical simulation based on the Tight-Binding Molecular Dynamics (TBMD) method. We evaluate an effective interaction between vacancy pair in bulk and in a thin slab as model systems of a Si wafer. In the case of vacancy pair in bulk crystal, results reveal that there is an effective “capture radius” of the vacancies to form a divacancy at around 8Å at 300K and 13Å at 600K. Surface structure involving vacancies in Si slab undergoes a reconstruction accompanying dimer-rows in [110] direction initiated by the vacancies. The capture radius is also found to exist in the slab and binding energy of the divacancy has depth dependence due to the surface effect.

収録刊行物

• Transactions of the Materials Research Society of Japan

  Transactions of the Materials Research Society of Japan 37 (2), 143-146, 2012

  一般社団法人 日本MRS

キーワード

• semiconductor surface
• defect/vacancy
• tight-binding molecular dynamics

詳細情報

• CRID: 1390282680489134464
• NII論文ID: 130003399069
• DOI: 10.14723/tmrsj.37.143
• COI: 1:CAS:528:DC%2BC38Xht1aksL7J
• ISSN: 21881650
• ISSN: 13823469
• Web Site: https://www.jstage.jst.go.jp/article/tmrsj/37/2/37_143/_pdf
• 本文言語コード: en
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