Critical epinucleation on reconstructured surfaces and first-principle calculation of homonucleation on Si(100) |
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Authors: | Pala Raj Ganesh S Liu Feng |
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Institution: | Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, USA. |
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Abstract: | We introduce the concept of "critical epinucleation to distinguish nucleation on surfaces with and without reconstruction. On a reconstructed surface, the critical classical nucleus is stable against dissociation, but may not yet break the underlying surface reconstruction. Consequently, there must exist a "critical epinucleus" that is not only stable but also has established the epiconfiguration by unreconstructing the underlying substrate. We illustrate this concept by first-principle calculation of homonucleation on reconstructed Si(001) surface where the critical epinucleus consists of six adatoms. |
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