Formation of dihydride chains on H-terminated Si(100)-2×1 surfaces: Scanning tunneling microscopy and first-principles calculations

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

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

On H-terminated Si(100)-2×1 surface, dihydride chains are often observed along the SB step edge by scanning tunneling microscopy. They are located more than one Si dimer's distance from the step edge. To clarify the reason, we performed first principles calculations on the chain formation process. We found that H termination of the Si surface transforms the rebonded step edge into the combination of a dihydride chain and a nonrebonded step edge. The chain moves away from the step edge by changing positions with the neighboring Si-dimer row. We also investigated the reaction path of this exchange and found that it requires an additional hydrogen atom, which is available during the H-termination process.

Original languageEnglish
Article number205308
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume74
Issue number20
DOIs
Publication statusPublished - 2006 Nov 15
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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