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    Diffusion pathways of phosphorus atoms on silicon (001)

    120643_120643updatedPdiff.pdf (13.36Mb)
    Access Status
    Open access
    Authors
    Bennett, J. M.
    Warschkow, O.
    Marks, Nigel
    McKenzie, D. R.
    Date
    2009
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Bennett, Jennifer M. and Warschkow, Oliver and Marks, Nigel A. and McKenzie, David R. 2009. Diffusion pathways of phosphorus atoms on silicon (001). Physical Review B 79: pp. 165311-1-165311-9.
    Source Title
    Physical Review B
    DOI
    10.1103/PhysRevB.79.165311
    ISSN
    1098-0121
    Faculty
    Nanochemistry Research Institute (NRI)
    Faculty of Science and Engineering
    School
    Nanochemistry Research Institute (Research Institute)
    Remarks

    Copyright © 2009 The American Physical Society

    URI
    http://hdl.handle.net/20.500.11937/22583
    Collection
    • Curtin Research Publications
    Abstract

    Using density-functional theory and a combination of growing string and dimer method transition state searches, we investigate the interaction of phosphorus atoms with the silicon (001) surface. We report reaction pathways for three technologically important processes: diffusion of phosphorus adatoms on the surface, incorporation of the phosphorus adatom into the surface, and diffusion of the incorporated phosphorus atom within the surface. These reactions have direct relevance to nanoscale lithographic schemes capable of positioning single phosphorus atoms on the silicon surface. Temperatures of activation for the various processes are calculated and, where possible, compared with experiment.

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