Quantum chemical study on surface reconstruction of Si(100)

Masanori Miura, Yuuichi Orimoto, Koji Yamada, Yuriko Aoki

    研究成果: Contribution to conferencePaper査読

    抄録

    It is well known that Si atoms composing a Si(100) surface form a dimerized structure to stabilize the surface. This phenomenon is regarded as the Peierls instability that is generally found in polyacetylene. However, from the standpoint of the molecular orbital theory, there is few method to describe the Peierls instability efficiently for huge systems. We develop an efficient method to calculate the structural distortion on Si(100) surface and discuss the accuracy and efficiency of this method by comparing the result with the direct ab initio MO method.

    本文言語英語
    ページ943
    ページ数1
    出版ステータス出版済み - 2005
    イベント54th SPSJ Annual Meeting 2005 - Yokohama, 日本
    継続期間: 5 25 20055 27 2005

    その他

    その他54th SPSJ Annual Meeting 2005
    国/地域日本
    CityYokohama
    Period5/25/055/27/05

    All Science Journal Classification (ASJC) codes

    • 工学(全般)

    フィンガープリント

    「Quantum chemical study on surface reconstruction of Si(100)」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

    引用スタイル