First principles study of dihydride chains on H-terminated Si(100)-2×1 surface

Yuji Suwa, Masaaki Fujimori, Seiji Heike, Yasuhiko Terada, Yoshihide Yoshimoto, Kazuto Akagi, Osamu Sugino, Tomihiro Hashizume

研究成果: Article査読

2 被引用数 (Scopus)


Scanning-tunneling-microscopy observation of an H-terminated Si(100)-2×1 surface often shows the existence of a single dihydride-chain structure parallel to step edges. This chain is located near an SB step edge, but away from it by more than one Si-dimer's distance. In order to discuss the mechanism of the formation of such a structure, we have performed first-principles calculations. As a result, we have found that the rebonded step edge of the clean Si surface turns into one dihydride chain and a non-rebonded step edge after hydrogen termination. We have also found that the chain adjacent to the step edge is energetically less stable than in a distant position from the step.

ジャーナルJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
3 B
出版ステータスPublished - 2006 3 27

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

フィンガープリント 「First principles study of dihydride chains on H-terminated Si(100)-2×1 surface」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。