Two-stage rotation mechanism for group-V precursor dissociation on Si(001)

Jian Tao Wang, Changfeng Chen, E. G. Wang, Ding Sheng Wang, H. Mizuseki, Y. Kawazoe

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)


We report ab initio identification of initial dissociation pathways for Sb4 and Bi4 tetramer precursors on Si(001). We reveal a two-stage double piecewise rotation mechanism for the tetramer to ad-dimer conversion involving two distinct pathways: one along the surface dimer row via a rhombus intermediate state and the other across the surface dimer row via a rotated rhombus intermediate state. These two-stage double piecewise rotation processes play a key role in lowering the kinetic barrier by establishing and maintaining energetically favorable bonding between adatoms and substrate atoms. These results provide an excellent account for experimental observations and elucidate their underlying atomistic origin that may offer useful insights for other surface reaction processes.

Original languageEnglish
Article number046103
JournalPhysical review letters
Issue number4
Publication statusPublished - 2006

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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