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    Phosphorus d-doped silicon: mixed-atom pseudopotentials and dopant disorder effects

    Access Status
    Fulltext not available
    Authors
    Carter, Damien
    Marks, Nigel
    Warschkow, O.
    McKenzie, D.
    Date
    2011
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Carter, Damien and Marks, Nigel and Warschkow, Oliver and McKenzie, David. 2011. Phosphorus d-doped silicon: mixed-atom pseudopotentials and dopant disorder effects. Nanotechnology. 22 (065701).
    Source Title
    Nanotechnology
    DOI
    10.1088/0957-4484/22/6/065701
    Additional URLs
    http://stacks.iop.org/Nano/22/065701
    ISSN
    09574484
    School
    Nanochemistry Research Institute (Research Institute)
    Remarks

    © 2011 IOP Publishing Ltd

    URI
    http://hdl.handle.net/20.500.11937/24873
    Collection
    • Curtin Research Publications
    Abstract

    Within a full density functional theory framework we calculate the band structure and doping potential for phosphorus d-doped silicon. We compare two different representations of the dopant plane; pseudo-atoms in which the nuclear charge is fractional between silicon and phosphorus, and explicit arrangements employing distinct silicon and phosphorus atoms. While the pseudo-atom approach offers several computational advantages, the explicit model calculations differ in a number of key points, including the valley splitting, the Fermi level and the width of the doping potential. These findings have implications for parameters used in device modelling.

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