Dimer exchange mechanism for substitutional As adsorption on Si(100)

Byung Deok Yu, Atsushi Oshiyama

Research output: Contribution to journalArticlepeer-review

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Abstract

We present first-principles calculations which support a dimer exchange mechanism for substitutional As adsorption on Si(100) surfaces. In contrast to the prevailing picture, we find that the origin of the substitution of the underlying Si atoms by As is the flexible reconstructions of the Si atoms in the resulting geometries, including the newly discovered π bonded reconstruction between the top-layer and the second-layer Si atoms. Calculated scanning tunneling microscopy images of the resulting As-Si heterodimer and the As dimer differ prominently from that of the Si dimer.

Original languageEnglish
Pages (from-to)585-588
Number of pages4
JournalPhysical Review Letters
Volume71
Issue number4
DOIs
StatePublished - 1993

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