First principles study of GeSi exchange mechanisms at the Si(001) surface

Based on density functional theory calculations, we show that an isolated Ge adatom on Si(001) triggers an exchange mechanism involving three atoms, which leads to the formation of a Si adatom and a mixed SiGe surface dimer. The activation energy calculated from first principles is sufficiently low...

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Bibliographic Details
Main Authors: Zipoli, F, Cereda, S, Ceriotti, M, Bernasconi, M, Miglio, L, Montalenti, F
Format: Journal article
Language:English
Published: 2008