Pathways for thermal phosphorus desorption from the silicon (001) surface

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Pathways for thermal phosphorus desorption from the silicon (001) surface

We use density-functional theory and transition-state search methods to characterize the thermal desorption of P2 molecules from the phosphorus-doped silicon 001 surface. We compare two desorption pathways, one proceeding via an in-surface P-P homodimer, the other via an on-surface P-P addimer. Whil...

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Bibliographic Details
Main Authors:	Bennett, J. M., Warschkow, O., Marks, Nigel, McKenzie, D.
Format:	Journal Article
Published:	American Physical Society 2010
Online Access:	http://hdl.handle.net/20.500.11937/27831

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